data_1wx8_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 1wx8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 34' ' ' ALA . 2.7 mm -73.23 151.57 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 pt -134.43 156.18 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 16.3 ttp180 -93.49 102.82 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 87.3 t -103.84 116.52 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 m -75.17 110.36 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' HIS . 44.1 t -88.46 121.45 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 117.66 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.6 p -110.3 159.16 33.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 18.3 Cg_endo -74.98 68.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER 166.69 -61.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.96 -169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -128.18 144.45 51.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.327 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.3 t60 -140.53 156.95 46.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -113.47 142.16 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 15.2 m-85 -121.75 102.2 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.53 165.58 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.523 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -52.19 127.31 21.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.65 -23.82 67.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -99.32 37.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 19.2 m -104.02 111.51 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.1 p-10 -39.74 149.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 18.7 t -43.42 -45.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -48.52 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' ARG . 19.4 mtt-85 -38.61 -56.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -49.36 -42.24 41.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -60.56 -54.48 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.81 -48.32 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.93 -38.9 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 50' ' ' LEU . 8.5 mt -72.18 -47.38 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 p -55.28 -27.9 49.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -68.64 -53.92 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 61.6 t80 -75.77 -66.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' CD1' HG21 ' A' ' 46' ' ' ILE . 6.6 mp -45.68 -26.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 88.8 m-70 64.54 32.8 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 53' ' ' ASN . 14.1 p -106.16 -153.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.2 m-80 -117.92 128.66 55.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.48 60.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -115.42 -2.85 12.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 77.9 mt -84.75 142.34 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 t -130.14 133.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -91.86 129.11 37.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.63 109.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 24.7 t80 -115.27 113.52 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.43 1.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.6 -16.58 31.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -92.64 127.47 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.21 138.5 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD21 ' NE ' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -102.88 -175.43 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.0 mmt180 -130.58 138.73 50.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.22 -26.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -90.88 34.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.465 ' OD2' ' CZ ' ' A' ' 75' ' ' ARG . 7.0 m-20 -141.54 134.26 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.5 mp -80.99 162.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 22.2 mt -69.45 -70.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -57.19 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -44.59 -42.44 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 10.8 mmt180 -71.53 -37.26 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.03 -23.79 2.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.571 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 27.0 mt -50.17 108.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.45 -165.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.38 125.03 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.51 41.96 8.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 m -105.68 164.32 12.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -116.53 123.67 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.02 133.22 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.365 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -85.9 131.87 34.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.44 151.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.459 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.4 t -143.07 154.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.41 65.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.345 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 34' ' ' ALA . 15.5 mm -86.29 160.08 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.5 176.68 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' NE ' ' OE1' ' A' ' 30' ' ' GLU . 9.7 ttt180 -107.79 102.79 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.86 120.39 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 m -85.59 108.85 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.6 t -89.23 120.63 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.83 117.8 31.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.9 p -109.93 159.36 32.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 62.38 5.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -49.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.32 -168.07 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -122.89 144.48 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -144.6 105.64 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 4.6 mt-10 -73.89 131.32 41.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 29' ' ' HIS . 68.1 m-85 -113.64 167.32 10.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -139.04 102.0 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.67 165.35 25.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -47.51 131.18 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -68.07 -8.3 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.77 39.04 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -102.65 116.73 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.1 p-10 -38.8 152.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 t -48.52 -46.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 41' ' ' ARG . 1.2 ttt180 -47.23 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ARG . 15.4 mtt180 -39.16 -57.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -47.86 -44.14 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -61.14 -44.43 97.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -45.26 -54.21 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -40.74 52.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG21 ' CG2' ' A' ' 85' ' ' VAL . 13.9 mt -70.75 -51.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -51.1 -21.79 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -76.63 -70.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CD2' HD11 ' A' ' 50' ' ' LEU . 16.3 t80 -54.62 -52.53 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 49' ' ' TYR . 3.8 mp -70.22 -7.62 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.6 p80 41.22 56.52 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -129.39 -174.62 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.17 129.96 43.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.97 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.43 -15.7 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -6.1 15.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.91 142.17 28.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 t -130.02 139.46 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -99.28 127.6 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.56 106.92 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 10.2 t80 -112.18 112.81 24.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.48 -2.76 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.09 0.59 30.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.14 126.0 50.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.38 130.58 34.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mt -94.92 -170.61 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.9 mmt180 -141.7 136.86 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -28.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -90.41 34.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.7 m-20 -142.0 138.49 31.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -86.88 158.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' CD1' HD21 ' A' ' 33' ' ' LEU . 26.3 mt -67.31 -70.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -46.49 -54.55 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.62 -44.98 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.422 ' NE ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 mmt180 -68.06 -42.01 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 -31.21 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 22.3 mt -46.49 110.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -112.33 -165.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.57 126.34 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.19 46.76 9.84 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 m -110.7 158.4 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -108.19 131.59 54.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 59' ' ' LEU . 11.8 t -132.94 128.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.01 134.26 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 46' ' ' ILE . 9.8 p -104.03 149.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.01 152.11 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.95 68.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 34' ' ' ALA . 11.5 mm -77.73 128.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 14.6 pt -105.98 164.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 ttp85 -106.88 102.58 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.84 126.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 m -79.44 109.38 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.445 ' CG2' ' CD1' ' A' ' 31' ' ' PHE . 39.7 t -87.56 120.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.43 117.75 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.5 p -111.84 157.92 38.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 60.5 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 179.29 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.82 -174.42 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.44 137.89 54.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 108.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.21 137.49 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -99.57 126.84 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 20.5 m-85 -107.17 153.32 22.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 19.9 m-85 -127.49 101.78 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.76 165.51 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -48.63 135.45 14.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 17.6 pt-20 -74.01 -4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.24 29.06 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.17 123.2 38.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.1 155.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 15.6 t -50.07 -47.12 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -45.88 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -42.97 -54.66 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 33' ' ' LEU . 1.1 t80 -50.43 -39.19 46.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.81 -45.44 82.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -50.92 -49.71 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.72 -34.08 17.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 50' ' ' LEU . 11.3 mt -74.95 -43.6 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.2 p -58.63 -18.95 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -53.78 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.587 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 75.4 t80 -80.9 -68.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 46' ' ' ILE . 5.9 mp -42.51 -31.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 78.9 m-70 64.54 48.43 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.6 m -127.89 172.12 11.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.353 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.73 126.26 32.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 -15.01 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.21 -17.94 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -113.5 5.49 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 54.3 mt -91.19 142.31 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.19 135.24 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD12 ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -96.79 129.01 44.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.94 114.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CG ' HG13 ' A' ' 77' ' ' ILE . 35.3 t80 -116.79 137.49 52.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.29 20.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.68 77.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.2 mmmt -95.71 123.59 39.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.27 148.16 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.4 mt -115.24 -169.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -143.36 143.38 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -31.73 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.419 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.0 pt20 -90.13 36.21 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ARG . 12.2 m-20 -140.24 143.65 36.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.564 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -90.94 162.5 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 1.3 mt -75.89 -69.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -54.19 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -43.59 -55.02 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -61.32 -40.19 93.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.52 -29.07 1.62 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.52 HG13 ' CG ' ' A' ' 61' ' ' PHE . 40.3 mt -40.84 106.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.34 -164.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -76.84 130.93 38.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.37 42.72 33.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -104.43 163.0 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -115.6 123.04 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 59' ' ' LEU . 41.0 t -124.43 136.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -89.12 131.51 35.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.571 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.9 p -100.21 149.47 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 6.6 t -141.02 151.57 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.5 t -135.75 69.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 34' ' ' ALA . 5.6 mm -67.86 135.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 15.2 pt -117.31 157.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 ttt180 -98.79 102.64 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.9 t -102.75 119.91 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -75.02 111.7 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.3 t -91.3 120.14 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 117.97 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.0 p -110.12 158.28 35.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 61.02 5.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 176.96 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -173.93 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.33 138.86 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 136.82 32.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.641 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.88 135.4 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -115.98 163.12 16.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 17.4 m-85 -135.93 102.17 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.76 165.54 25.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -53.23 130.17 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 10.6 pt-20 -64.53 -19.15 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -107.79 40.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' ASN . 16.5 m -107.79 113.3 26.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.7 p-10 -38.97 154.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.483 HG12 ' CB ' ' A' ' 59' ' ' LEU . 23.1 t -52.31 -45.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.429 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 14.9 mtt180 -44.41 -54.37 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.72 -40.27 39.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -63.95 -48.21 77.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -49.08 -50.14 38.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -37.13 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 50' ' ' LEU . 12.3 mt -70.92 -46.63 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -56.83 -22.97 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -69.97 -51.59 31.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.598 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 72.0 t80 -82.08 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 46' ' ' ILE . 5.9 mp -44.31 -27.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 87.8 m-70 65.16 31.35 10.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.8 m -109.61 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -97.56 125.84 42.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.23 -13.75 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.75 -15.78 59.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.82 -4.52 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.423 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 78.3 mt -82.72 140.54 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.26 131.63 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CB ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -90.47 125.69 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.38 106.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CD2' HG23 ' A' ' 62' ' ' THR . 29.6 t80 -108.01 136.03 48.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.556 HG23 ' CD2' ' A' ' 61' ' ' PHE . 12.6 t 52.62 21.91 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.99 -4.0 86.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.61 118.14 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.58 134.15 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 77' ' ' ILE . 45.1 mt -94.83 -166.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 10.7 mmt180 -142.94 140.97 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -52.95 -36.66 60.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.86 3.85 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 67.0 m-20 -113.97 135.36 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -80.45 164.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.502 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 3.0 mt -70.79 -68.98 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' GLY . 41.0 t -48.55 -58.03 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -43.27 -36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -78.18 -39.09 41.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 149.73 -33.0 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.484 ' CD1' ' CD1' ' A' ' 66' ' ' LEU . 37.0 mt -43.12 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.94 -167.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 127.96 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.72 45.61 16.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 m -108.4 170.1 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -117.58 132.91 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 59' ' ' LEU . 41.0 t -134.88 137.77 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -90.55 131.12 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.13 152.58 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.2 t -143.1 152.17 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.4 p -136.45 68.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' VAL . 10.2 mtp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 33' ' ' LEU . 17.7 mm -85.84 156.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.3 pt -139.71 154.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.9 ttt180 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.87 121.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -76.64 109.82 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.41 119.99 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.37 117.53 34.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.4 p -108.54 159.36 31.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.26 6.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.09 -168.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 p -128.13 140.65 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -134.96 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.71 120.66 29.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 28.1 m-85 -131.05 101.62 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.74 165.54 25.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.516 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -43.43 136.55 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 9.7 pt-20 -74.75 -16.79 60.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.61 28.61 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.38 155.69 19.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -78.25 153.42 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 t -51.74 -45.07 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -66.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 mtt-85 -45.95 -53.43 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 59' ' ' LEU . 1.5 t80 -50.29 -35.84 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -71.17 -44.14 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.14 -48.15 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -42.61 68.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 50' ' ' LEU . 9.0 mt -66.73 -52.67 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -51.63 -28.09 13.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.451 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 54.3 t80 -70.39 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 46' ' ' ILE . 6.6 mp -50.2 -23.61 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 75.0 m-70 59.25 51.06 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 p -129.49 -174.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.4 133.42 42.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -11.98 60.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.69 -18.56 58.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -111.7 2.32 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 64.5 mt -92.86 137.13 32.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.46 136.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.498 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.63 130.28 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.5 107.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.54 ' O ' ' CB ' ' A' ' 62' ' ' THR . 30.1 t80 -111.42 109.91 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.54 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 86.0 -19.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.16 -12.82 4.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -94.62 123.03 37.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.94 142.88 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.82 171.16 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ASP . 8.7 mmt180 -123.74 149.22 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -43.47 -54.15 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 25.3 pt20 -54.85 -33.23 61.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.9 m-20 -71.48 134.59 46.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -90.41 164.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 18.8 mt -73.69 -70.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -53.86 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.054 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.23 -58.19 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 mmt-85 -57.22 -33.81 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 139.68 -30.34 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.518 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 48.0 mt -39.85 105.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -115.77 -163.06 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.61 132.53 42.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.31 41.71 44.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -107.45 157.15 18.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -111.9 124.49 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.498 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -124.37 129.69 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -84.7 130.0 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.0 p -101.45 151.09 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.447 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.2 t -142.75 152.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.416 ' N ' HG12 ' A' ' 86' ' ' VAL . 2.7 t -131.81 71.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 34' ' ' ALA . 10.1 mm -82.34 157.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 8.2 pt -135.8 -178.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.7 ttp180 -114.28 102.9 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 t -110.76 122.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -85.01 110.37 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.6 t -89.34 120.43 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.88 117.81 31.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 p -109.72 158.66 34.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.79 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.8 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -171.91 4.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.18 142.75 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.25 105.68 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -74.41 130.89 40.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -114.13 165.85 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 m-85 -139.07 101.84 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.78 165.39 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -40.81 137.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 1.7 pt-20 -77.36 -20.65 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.47 27.3 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -87.59 154.1 20.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.023 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 4.2 p-10 -76.01 152.76 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -51.53 -49.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.56 -61.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 mtt-85 -49.39 -52.54 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.453 ' CE1' HD11 ' A' ' 33' ' ' LEU . 1.1 t80 -50.88 -35.21 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -70.23 -44.92 67.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -48.07 -49.74 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -44.27 64.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 50' ' ' LEU . 11.3 mt -64.49 -53.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.16 -36.91 6.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -55.86 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -62.24 -60.18 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.602 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.0 mp -51.69 -21.62 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 29.1 p80 52.86 51.1 16.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.2 m -131.94 -175.67 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.18 137.98 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.77 -14.67 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -75.67 -8.23 56.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.83 -10.11 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.75 137.62 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.57 138.47 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -95.55 127.82 41.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.426 ' CG1' HG12 ' A' ' 65' ' ' ILE . 3.5 mp -138.13 106.46 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 62' ' ' THR . 20.6 t80 -107.8 134.34 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.559 HG23 ' CD2' ' A' ' 61' ' ' PHE . 14.0 t 51.41 25.24 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.3 67.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' PHE . 4.2 mmtp -117.13 116.72 27.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' CG1' ' A' ' 60' ' ' ILE . 11.8 mt -63.43 136.06 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.419 HD21 ' NE ' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -116.66 171.73 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.08 151.16 47.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -55.23 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -52.79 -36.53 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 18.1 m-20 -69.73 129.53 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.8 mp -83.91 163.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.489 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 17.0 mt -68.2 -69.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.6 p -44.4 -61.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.79 -48.72 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' NE ' HD21 ' A' ' 66' ' ' LEU . 12.2 mmt180 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.74 -27.27 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.404 HG13 ' CG ' ' A' ' 61' ' ' PHE . 32.4 mt -48.77 108.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 0.815 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.39 -165.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.5 128.71 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.41 46.41 20.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -113.74 173.79 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.7 m -127.0 132.12 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG13 ' CD1' ' A' ' 59' ' ' LEU . 3.3 t -133.38 131.91 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -81.94 134.98 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.0 151.73 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.02 153.19 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.5 p -136.54 68.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' VAL . 8.6 mtp180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 34' ' ' ALA . 6.3 mm -84.3 155.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 10.5 pt -140.65 158.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.17 102.72 14.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.494 HG12 ' CZ ' ' A' ' 42' ' ' PHE . 61.9 t -105.7 114.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -76.97 109.58 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.11 121.8 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 117.42 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.2 p -111.0 159.52 32.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.95 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.38 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.87 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.541 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 12.7 p -117.82 149.67 40.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 28' ' ' CYS . 34.2 m170 -145.23 114.4 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.76 133.2 34.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -121.37 166.88 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.33 101.92 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.27 165.63 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -49.65 132.43 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.8 pt-20 -69.16 -14.63 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.24 39.19 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -104.26 113.48 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.68 151.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 10.0 t -43.48 -45.62 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -49.95 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -40.31 -55.76 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.494 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 1.2 t80 -49.28 -43.11 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 57' ' ' LEU . 5.2 mttt -62.45 -46.9 86.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -41.96 -53.54 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 50' ' ' LEU . 8.3 mt -64.53 -53.4 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 p -45.09 -36.48 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 3.2 mptt -67.43 -70.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.579 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 69.4 t80 -52.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 46' ' ' ILE . 7.1 mp -50.94 -22.99 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 89.2 m-70 61.62 50.99 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -168.66 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.83 130.34 48.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -65.83 -17.14 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.32 -27.14 66.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -100.63 -1.91 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 84.7 mt -88.78 142.43 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.3 130.53 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -88.68 127.22 35.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.9 108.59 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CD2' HG23 ' A' ' 62' ' ' THR . 39.3 t80 -106.57 130.83 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.565 HG23 ' CD2' ' A' ' 61' ' ' PHE . 13.5 t 51.86 20.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.37 -24.62 31.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 10.3 mptt -78.9 124.75 28.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.58 147.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD21 ' CG ' ' A' ' 75' ' ' ARG . 11.1 mt -112.5 -169.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 27.3 mmt180 -146.76 139.33 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.471 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 4.3 p30 -42.08 -35.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.418 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 15.6 pt20 -87.31 40.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' OD2' ' CZ ' ' A' ' 75' ' ' ARG . 1.1 m-20 -148.25 136.21 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.1 mp -81.95 159.12 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.427 ' N ' HG22 ' A' ' 71' ' ' ILE . 6.3 mt -72.01 -64.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLY . 54.0 p -48.12 -57.93 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.99 -44.44 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 15.1 mmt180 -69.19 -30.32 68.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 135.86 -32.38 2.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.4 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 50.0 mt -43.01 110.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.93 -167.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -73.36 129.61 38.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.07 47.31 24.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -109.81 161.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.0 m -110.36 123.43 49.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' CD1' ' A' ' 59' ' ' LEU . 37.7 t -125.7 132.44 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.45 133.86 34.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.83 149.14 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 5.7 t -137.29 155.2 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.7 63.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 34' ' ' ALA . 12.1 mm -81.33 159.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.2 pt -141.72 158.96 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 10.1 ttp-105 -95.05 102.81 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -104.6 116.79 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m -75.27 111.02 10.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -90.73 122.68 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.6 117.62 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.7 p -108.63 158.81 33.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.53 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 172.63 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -127.03 -168.9 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.09 132.62 49.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -128.1 161.1 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.42 125.72 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -112.36 149.8 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 9.6 m-85 -125.58 101.54 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.08 165.37 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -40.52 141.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 4.6 pt-20 -80.67 -7.55 59.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -117.48 4.37 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -66.28 113.74 4.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 3.0 p-10 -38.45 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -54.48 -43.45 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -62.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -47.05 -53.83 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.484 ' CE2' HD13 ' A' ' 59' ' ' LEU . 1.6 t80 -50.31 -38.43 41.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -66.22 -43.91 85.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.51 -48.6 78.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.25 -42.61 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 50' ' ' LEU . 9.1 mt -65.53 -52.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -33.94 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -59.66 -70.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.602 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 58.4 t80 -64.4 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 46' ' ' ILE . 6.0 mp -40.31 -29.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 82.3 m-70 64.7 49.95 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 89.2 m -127.36 -172.17 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.1 123.31 44.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -63.37 -22.87 67.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.24 -19.37 65.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -111.81 3.51 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 88.6 mt -90.65 138.38 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -130.11 129.84 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -85.46 130.45 34.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.07 107.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.519 ' O ' ' CG2' ' A' ' 62' ' ' THR . 30.1 t80 -109.12 130.69 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.41 21.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.82 -12.85 66.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.44 117.63 25.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.75 131.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 59' ' ' LEU . 6.9 mt -97.45 -176.89 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' CG ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -111.82 -87.69 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' CG ' ' C ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -178.77 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.29 1.65 35.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -95.75 139.95 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.5 mp -87.97 137.45 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' N ' HG23 ' A' ' 71' ' ' ILE . 47.7 mt -41.55 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.72 -52.91 16.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 58.6 mt-30 -43.95 -35.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -83.39 -46.06 12.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.52 -27.33 0.96 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 61' ' ' PHE . 27.2 mt -44.23 110.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -115.8 -168.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.48 131.98 43.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.217 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.76 43.41 35.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -108.23 159.62 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.8 m -113.25 127.1 56.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG1' HD12 ' A' ' 59' ' ' LEU . 21.6 t -126.35 130.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.5 130.13 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.1 p -98.9 150.01 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.2 t -142.99 153.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 t -137.47 73.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 34' ' ' ALA . 5.3 mm -76.98 156.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 18.1 pt -135.65 164.6 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 20.6 ttp180 -99.66 102.61 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -107.75 120.84 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -79.02 109.1 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' HIS . 52.5 t -87.61 121.08 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -106.77 117.29 33.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 3.2 p -110.86 163.35 17.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.0 7.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.99 -54.9 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -150.05 -174.41 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -115.18 127.51 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -137.69 150.23 47.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -110.93 132.55 54.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.426 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 23.6 m-85 -115.35 148.08 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 23.6 m-85 -125.93 103.53 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.4 165.38 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.523 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -46.66 132.02 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.4 pt-20 -72.92 -12.96 61.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -111.83 32.06 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -102.43 116.95 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.54 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.451 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 24.9 t -51.38 -49.24 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.66 -58.51 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -49.16 -53.24 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.27 -38.88 55.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -65.0 -50.39 66.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -46.87 -51.01 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.35 -38.96 55.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.45 HG21 ' CD1' ' A' ' 50' ' ' LEU . 14.0 mt -68.94 -49.61 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' HIS . 2.9 p -52.2 -40.54 61.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -47.83 -53.44 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 51' ' ' HIS . 58.3 t80 -83.73 -65.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.6 mp -43.53 -27.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 17.5 p80 55.95 31.63 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.407 ' HB3' ' CG1' ' A' ' 87' ' ' VAL . 73.7 m -119.14 133.57 55.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' CYS . 6.0 m-80 -40.31 129.65 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -70.67 -23.37 62.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.4 -20.76 64.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -106.56 3.75 27.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 80.1 mt -90.05 142.97 27.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.14 142.51 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.499 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -104.16 125.28 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -138.45 118.52 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' A' ' 77' ' ' ILE . 7.7 t80 -118.86 115.63 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 84.14 -40.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.66 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -87.49 146.5 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.56 152.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 59' ' ' LEU . 3.1 mt -107.2 -171.61 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.49 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -29.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.4 pt20 -92.11 40.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' OD2' ' NE ' ' A' ' 75' ' ' ARG . 2.3 m-20 -145.22 143.2 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -90.0 161.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 23.1 mt -70.73 -70.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -56.92 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -45.63 -44.02 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 70' ' ' ASP . 8.3 mmt180 -68.25 -45.22 73.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.86 -28.81 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 61' ' ' PHE . 16.4 mt -49.48 110.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -113.97 -167.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.56 124.89 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.82 47.46 7.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -112.75 168.54 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -120.02 123.71 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -122.56 128.77 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -83.08 131.07 35.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.73 153.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.455 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.1 t -143.06 153.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 52' ' ' CYS . 16.4 t -133.44 67.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 34' ' ' ALA . 8.8 mm -77.77 146.46 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 12.4 pt -130.8 156.48 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 14.2 ttp-105 -94.27 102.86 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.81 119.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -75.19 113.14 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' HIS . 42.8 t -91.42 122.54 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.49 118.01 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.1 p -112.41 156.88 41.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 68.06 5.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 169.44 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -148.83 -172.02 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.39 142.81 51.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.494 ' CE1' ' CE2' ' A' ' 49' ' ' TYR . 1.7 t-80 -141.25 158.63 43.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.98 131.79 56.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.02 145.21 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 40.9 m-85 -120.7 101.82 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.45 165.24 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -48.82 133.41 17.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 13.5 pt-20 -68.09 -23.19 64.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.17 38.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ASN . 3.3 m -102.5 111.03 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.56 148.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 t -43.57 -47.25 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -46.22 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ARG . 11.2 mtt-85 -37.97 -56.77 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.409 ' CE1' HD12 ' A' ' 33' ' ' LEU . 1.1 t80 -47.64 -46.96 29.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 57' ' ' LEU . 16.3 mttt -55.02 -47.7 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.457 ' HE2' ' CD ' ' A' ' 40' ' ' ARG . 12.3 mmtt -44.93 -51.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.72 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.486 HG21 ' CD1' ' A' ' 50' ' ' LEU . 12.2 mt -67.5 -50.92 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 p -48.01 -35.96 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -70.88 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.494 ' CE2' ' CE1' ' A' ' 29' ' ' HIS . 54.2 t80 -55.6 -63.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD1' HG21 ' A' ' 46' ' ' ILE . 7.8 mp -56.16 -24.47 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 62.94 53.33 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.61 -170.08 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.98 131.63 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -70.24 -14.15 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.46 -17.16 62.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -112.88 4.69 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 91.4 mt -92.42 139.62 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.13 132.34 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.557 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.66 127.77 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.96 106.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 62' ' ' THR . 25.9 t80 -109.16 141.2 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.524 HG21 ' CD2' ' A' ' 61' ' ' PHE . 13.2 t 52.25 23.5 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.08 -2.32 87.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -105.07 124.75 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.5 143.23 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' CD1' HD11 ' A' ' 77' ' ' ILE . 21.0 mt -106.03 -155.73 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mmt180 -152.14 138.18 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 69' ' ' GLN . 2.3 p30 -44.65 -47.37 10.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 8.9 pt20 -64.95 -32.02 73.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' ARG . 72.5 m-20 -74.24 138.02 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.8 mp -87.0 164.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 1.6 mt -69.03 -70.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -49.22 -57.89 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -43.46 -34.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -81.05 -38.03 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 146.66 -26.85 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 61' ' ' PHE . 27.7 mt -48.65 109.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.89 -165.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 131.15 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.78 47.29 40.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.971 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.4 m -112.72 127.78 56.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 14.9 t -129.07 131.73 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.9 129.78 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.8 p -98.0 154.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.42 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 27.8 t -143.03 151.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.19 69.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 34' ' ' ALA . 5.0 mm -91.42 154.56 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 13.2 pt -139.91 158.6 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 25.2 ttp180 -94.33 102.85 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.49 121.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -76.46 112.5 13.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.23 120.31 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.12 117.81 34.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 p -108.16 156.96 37.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.25 4.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.45 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -168.33 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.32 142.21 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 108.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -137.54 161.02 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -124.27 120.06 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -108.41 149.48 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 19' ' ' ARG . 42.0 m-85 -127.73 101.93 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.03 165.26 26.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.523 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -43.74 133.26 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -66.95 -20.99 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -115.08 47.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.431 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -106.73 118.48 36.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.8 p-10 -39.58 151.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 30.7 t -50.13 -44.5 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -47.38 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.512 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 6.6 mtt-85 -38.92 -56.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.58 -40.02 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.79 -52.75 55.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -43.81 -49.92 7.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.24 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 50' ' ' LEU . 11.2 mt -73.26 -47.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 p -53.05 -27.84 21.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -68.51 -60.38 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 61.7 t80 -68.86 -66.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 46' ' ' ILE . 6.5 mp -44.66 -28.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 70.2 m-70 65.03 39.93 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' CD2' ' A' ' 57' ' ' LEU . 20.8 p -118.03 -158.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.45 135.84 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.25 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -76.76 -16.21 59.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.98 -1.52 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 83.5 mt -90.55 138.27 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.515 ' CG2' ' NH2' ' A' ' 88' ' ' ARG . 66.8 t -128.06 134.27 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD13 ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -94.9 128.06 41.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.416 HD13 ' CG1' ' A' ' 58' ' ' VAL . 3.4 mp -137.69 109.54 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' HG13 ' A' ' 77' ' ' ILE . 24.6 t80 -113.05 112.17 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.96 -1.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.67 -10.2 30.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.125 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -96.55 127.46 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.55 135.31 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.73 -174.24 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -132.48 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -20.99 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -95.23 32.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 33.2 m-20 -141.12 144.76 35.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -90.36 161.63 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 1.2 mt -72.26 -61.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -51.55 -55.55 18.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -48.23 -46.03 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 14.0 mmt180 -65.83 -37.2 85.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.1 -26.73 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 61' ' ' PHE . 20.8 mt -47.81 110.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -115.17 -166.05 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 125.77 29.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.59 8.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -108.44 157.56 18.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 m -109.02 121.92 46.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 59' ' ' LEU . 20.1 t -123.69 131.46 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -84.39 128.35 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.68 147.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.8 t -132.73 149.88 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 87' ' ' VAL . 9.8 p -145.47 68.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.515 ' NH2' ' CG2' ' A' ' 58' ' ' VAL . 51.3 mtm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -85.25 153.37 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 9.9 pt -136.81 158.16 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 22.7 ttp180 -88.54 102.56 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG12 ' CE2' ' A' ' 42' ' ' PHE . 32.8 t -109.99 116.89 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -76.04 143.97 41.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.37 119.83 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.66 117.94 33.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 59.1 p -110.46 158.96 33.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.08 4.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.04 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.8 t0 -127.35 -168.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.21 136.36 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 108.259 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -133.68 165.78 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.645 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.07 144.55 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -132.16 140.42 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 31.6 m-85 -121.44 104.43 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.78 165.09 26.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -43.64 132.64 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 5.5 pt-20 -69.89 -13.44 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -117.69 39.28 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -104.0 114.78 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -39.35 151.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 t -49.23 -45.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -66.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' A' ' 38' ' ' ASN . 15.3 mtt85 -42.96 -54.49 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CE2' HG12 ' A' ' 20' ' ' VAL . 1.1 t80 -49.72 -41.89 44.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -44.82 -50.06 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -44.19 32.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG22 ' CD1' ' A' ' 50' ' ' LEU . 14.0 mt -67.14 -50.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 p -52.8 -35.13 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -54.44 47.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 49.8 t80 -78.35 -69.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD1' HG22 ' A' ' 46' ' ' ILE . 6.2 mp -41.05 -32.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 77.7 m-70 65.38 48.27 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.4 m -139.33 142.22 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.27 143.95 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.16 -19.16 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.59 -20.34 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -107.3 1.98 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 87.4 mt -92.3 124.55 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.5 t -118.46 127.83 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.81 125.42 33.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.17 110.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' ILE . 5.0 t80 -119.6 117.59 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 79.31 7.58 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.92 6.54 59.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -112.52 127.12 55.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.33 125.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 59' ' ' LEU . 11.2 mt -84.98 -159.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 32.4 mmt180 -153.53 139.5 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -47.67 -41.56 22.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -70.37 -27.0 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.25 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ARG . 39.2 m-20 -78.21 139.23 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.564 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -93.96 147.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 20.5 mt -48.01 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -57.91 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.465 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 67.7 mt-30 -40.73 -34.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -83.13 -49.93 8.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.24 -32.18 0.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 61' ' ' PHE . 11.4 mt -43.4 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.52 -165.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.94 128.42 35.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.79 52.2 9.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -120.58 155.02 34.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.8 m -108.07 139.69 42.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 59' ' ' LEU . 2.5 t -136.48 143.45 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.44 137.74 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.55 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.9 p -105.31 149.91 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.455 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.3 t -133.68 154.25 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -139.68 63.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.416 HD13 ' N ' ' A' ' 34' ' ' ALA . 21.2 mm -75.85 150.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 12.1 pt -133.14 161.05 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' NE ' ' OE2' ' A' ' 30' ' ' GLU . 15.7 ttp-105 -99.46 103.06 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -108.73 121.3 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -79.93 108.64 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.2 t -87.38 119.81 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.3 117.29 32.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 p -113.44 159.92 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.2 Cg_endo -75.0 48.14 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.52 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.7 178.28 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.34 145.13 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -144.9 118.42 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.595 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.1 mt-10 -88.28 127.89 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -115.24 166.19 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -139.25 102.21 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.563 HD13 ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -135.3 165.52 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.518 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -50.54 135.14 23.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 12.8 pt-20 -75.53 -4.39 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.12 15.89 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ASN . 1.1 m -86.68 109.79 19.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.66 150.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -40.62 -57.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -38.67 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HG3' ' ND2' ' A' ' 38' ' ' ASN . 13.4 mtt180 -49.16 -52.86 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE1' HD13 ' A' ' 33' ' ' LEU . 1.1 t80 -51.1 -42.05 60.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -60.01 -47.24 86.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -41.75 -52.58 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -47.68 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.48 HG23 ' CD1' ' A' ' 50' ' ' LEU . 7.0 mt -63.39 -56.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.32 -35.97 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -64.12 -69.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -57.9 -58.91 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.557 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 7.4 mp -57.74 -17.4 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 30.4 p80 50.8 53.9 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.7 m -131.46 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.31 126.5 38.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.81 -16.74 64.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.64 -16.97 62.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.78 2.88 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 93.9 mt -92.45 138.75 31.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -129.85 141.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -99.54 126.24 45.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.22 107.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 62' ' ' THR . 20.9 t80 -113.74 110.67 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 82.35 13.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.87 -9.6 70.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.569 1.168 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -95.71 127.14 41.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 66' ' ' LEU . 2.6 mp -71.09 137.59 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 HD22 ' NE ' ' A' ' 75' ' ' ARG . 3.6 mt -104.74 171.92 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.6 mmt180 -116.82 139.16 50.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -50.1 -27.02 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.66 -29.35 33.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 67' ' ' ARG . 91.4 m-20 -70.17 141.05 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.7 mp -91.68 137.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 8.8 mt -41.48 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -46.25 -56.33 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -44.08 -37.31 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 12.9 mmt180 -78.88 -36.47 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 138.94 -23.86 2.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 35.6 mt -46.2 107.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -110.32 -165.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.05 129.71 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.75 44.25 32.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -109.42 163.1 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.5 m -109.47 139.42 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.489 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -141.16 136.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.7 128.81 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.74 150.32 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.452 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 7.1 t -137.85 156.04 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.14 68.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 33' ' ' LEU . 10.0 mm -89.62 151.54 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.4 pt -136.77 154.78 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.5 ttt180 -90.81 102.81 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.0 117.03 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 m -75.05 109.09 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -88.93 119.9 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 118.08 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 p -112.08 157.29 40.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.14 6.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.54 -173.13 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.44 140.22 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.07 140.55 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -101.86 126.95 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -110.52 142.58 42.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 5.4 m-85 -117.24 101.56 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.98 165.59 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -44.99 140.06 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 1.3 pt-20 -75.52 -20.16 58.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.42 21.31 16.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -82.83 112.41 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.1 p-10 -37.92 148.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -47.31 -48.0 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -60.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -48.36 -53.11 18.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CE1' HD12 ' A' ' 33' ' ' LEU . 1.1 t80 -50.58 -37.06 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -68.41 -44.8 74.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -48.67 -51.0 30.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -48.42 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 50' ' ' LEU . 15.3 mt -58.9 -58.04 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -44.97 -38.78 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -57.17 -67.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LEU . 73.6 t80 -63.15 -67.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.604 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 3.1 mp -39.78 -50.2 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 88.13 28.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.62 -172.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.28 128.4 44.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.14 80.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.9 -16.96 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -109.56 6.88 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 68.3 mt -100.32 140.71 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.9 t -129.79 134.13 63.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.555 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -93.47 128.55 39.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.59 106.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 62' ' ' THR . 23.5 t80 -108.91 138.67 44.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.559 HG23 ' CD2' ' A' ' 61' ' ' PHE . 12.7 t 52.54 22.65 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.23 89.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -104.68 120.13 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.46 154.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.38 -159.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ASP . 10.9 mmt180 -143.83 137.98 28.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -21.76 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.16 -26.61 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ARG . 80.1 m-20 -78.71 145.92 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -91.18 162.97 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD1' HD21 ' A' ' 33' ' ' LEU . 11.1 mt -69.3 -70.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -56.15 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -44.36 -40.52 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 8.3 mmt180 -74.84 -47.83 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.94 -31.76 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 22.4 mt -43.08 108.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -110.42 -166.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -79.06 130.81 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 37.52 26.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -104.81 163.57 12.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -117.12 124.7 49.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 11.1 t -123.68 135.54 63.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -87.17 133.57 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.626 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -103.35 147.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 10.0 t -138.79 146.61 26.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.85 69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 34' ' ' ALA . 11.7 mm -81.97 148.77 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -126.37 163.46 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 15.1 ttp180 -96.3 102.77 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -106.69 117.39 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -77.0 112.26 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.5 t -89.73 119.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.99 117.79 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -111.75 157.42 39.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.49 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.69 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -142.37 -179.99 6.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.0 p -120.9 138.93 53.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -133.77 165.09 25.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.51 110.95 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -97.66 151.97 19.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 19.4 m-85 -130.41 103.61 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.61 165.4 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.53 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -47.56 130.9 14.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.98 -23.06 67.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -113.71 52.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -116.07 117.22 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.6 p-10 -39.18 157.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -55.49 -46.79 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -43.94 -63.46 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.0 mtt-85 -47.42 -53.09 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.438 ' CE1' HD11 ' A' ' 33' ' ' LEU . 1.1 t80 -50.16 -40.64 47.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 57' ' ' LEU . 39.2 mttt -62.66 -48.15 80.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -41.36 -50.6 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.93 65.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.48 HG22 ' CD1' ' A' ' 50' ' ' LEU . 12.5 mt -63.39 -58.32 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -40.0 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -59.91 -70.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -57.44 -59.79 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.556 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.4 mp -56.49 -18.16 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 31.5 p80 52.35 53.6 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.91 -176.82 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.24 132.08 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.66 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -73.88 -19.27 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt-85 -108.53 18.04 21.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 58.2 mt -111.5 138.57 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.0 t -127.09 137.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.58 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.68 127.59 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.264 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.61 107.6 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CD2' HG23 ' A' ' 62' ' ' THR . 25.6 t80 -106.81 130.64 54.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 61' ' ' PHE . 13.1 t 52.73 19.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.27 -24.69 31.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -78.62 125.63 29.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.21 149.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' CD1' HD12 ' A' ' 59' ' ' LEU . 6.1 mt -118.98 -178.4 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.8 mtp180 -141.11 148.55 40.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -34.85 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.7 pt20 -89.67 38.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' ARG . 7.1 m-20 -137.14 137.92 39.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.574 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -94.84 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 1.2 mt -52.64 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -54.64 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -43.8 -50.78 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 70' ' ' ASP . 56.2 mmt-85 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 142.3 -28.45 2.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 38.4 mt -39.73 108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.08 -159.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -82.75 130.13 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.34 41.95 24.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.68 165.77 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -118.07 119.35 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.58 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 14.5 t -119.95 130.2 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -82.38 130.93 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.7 p -100.62 146.77 8.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 9.1 t -136.89 147.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.95 59.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 mm -93.33 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.26 159.22 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 2.7 ttt180 -92.36 102.54 15.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.24 118.92 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.43 128.71 35.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.34 119.76 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -105.1 117.33 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 26' ' ' GLN . 6.7 p -110.4 157.51 37.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.526 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 18.1 Cg_endo -75.03 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 70.4 mt-30 -160.84 -57.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -175.41 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.45 126.68 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.94 160.94 34.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -127.42 134.65 49.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -116.02 163.07 16.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 21.5 m-85 -138.97 102.46 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.75 165.16 26.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -41.16 135.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -70.06 -16.14 63.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -116.82 40.54 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -100.03 115.46 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.5 p-10 -38.63 153.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 18.5 t -52.32 -42.93 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -47.96 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.47 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 20.9 mtt-85 -41.82 -54.69 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -49.64 -39.26 35.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 3.8 mttt -65.58 -43.85 88.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -52.17 -54.31 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -38.81 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 50' ' ' LEU . 43.2 mt -67.09 -44.75 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' HIS . 6.2 p -57.06 -41.47 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.15 -44.09 31.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 51' ' ' HIS . 59.2 t80 -91.25 -65.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.572 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 6.7 mp -46.28 -26.48 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 3.9 p80 39.97 54.05 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' HB3' ' CG1' ' A' ' 87' ' ' VAL . 1.2 m -140.17 33.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' CYS . 86.8 m-20 61.64 139.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -85.95 -20.98 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.31 -24.93 66.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -102.92 12.25 36.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 77.2 mt -100.0 142.39 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG2' ' HD2' ' A' ' 88' ' ' ARG . 48.3 t -130.19 125.83 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -83.01 127.09 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.76 106.83 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD1' HG13 ' A' ' 77' ' ' ILE . 10.0 t80 -112.94 113.07 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.6 -1.01 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.43 30.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -95.21 126.08 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.8 133.3 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 8.0 mt -94.61 -170.97 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.5 mmt180 -139.63 133.95 31.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -29.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -91.23 38.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' OD2' ' CZ ' ' A' ' 75' ' ' ARG . 1.8 m-20 -143.08 138.37 29.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.4 mp -88.97 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.458 ' N ' HG21 ' A' ' 71' ' ' ILE . 41.8 mt -48.1 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -44.6 -49.22 10.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -49.39 -45.21 45.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 17.8 mmt180 -69.37 -43.96 72.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.09 -28.67 1.0 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.567 HG13 ' CD1' ' A' ' 61' ' ' PHE . 24.5 mt -45.11 112.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 tp -117.0 -167.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 120.44 17.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.23 51.66 4.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.0 m -115.32 157.44 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -110.35 121.88 46.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 59' ' ' LEU . 12.4 t -120.24 132.22 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -86.4 129.64 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 p -97.97 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 13.7 t -143.15 148.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.468 ' CG2' HD21 ' A' ' 50' ' ' LEU . 25.5 t -125.52 67.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.446 ' HD2' ' CG2' ' A' ' 58' ' ' VAL . 14.9 mtp85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 34' ' ' ALA . 15.1 mm -75.38 153.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 8.1 pt -136.56 153.65 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 15.4 ttp-105 -91.74 102.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.21 123.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -81.81 108.52 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 t -88.64 119.78 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 116.91 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.8 p -112.72 160.11 31.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.4 Cg_endo -75.0 47.79 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.789 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.82 -56.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.45 -177.0 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.6 p -109.7 139.38 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.64 110.35 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.67 130.89 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.28 170.22 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -139.15 100.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.47 165.49 25.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -44.99 138.63 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.2 pt-20 -76.56 -15.93 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.45 12.14 23.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -75.47 111.32 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -38.23 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.486 HG12 ' CB ' ' A' ' 59' ' ' LEU . 42.4 t -48.5 -52.67 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.59 -63.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -44.43 -55.26 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.59 -42.98 45.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -61.16 -45.21 95.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.21 -47.08 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.86 -35.73 24.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.481 HG22 ' CD1' ' A' ' 50' ' ' LEU . 8.2 mt -72.99 -44.92 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 p -56.56 -22.43 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -70.94 -57.62 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 51.6 t80 -78.85 -70.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD1' HG22 ' A' ' 46' ' ' ILE . 5.7 mp -42.74 -28.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 84.8 m-70 61.64 50.56 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -122.75 -166.63 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.55 121.41 44.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.19 -26.96 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -25.49 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -102.17 3.26 38.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 75.5 mt -98.1 140.74 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.6 131.23 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CB ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -91.25 128.06 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.76 118.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' ' CB ' ' A' ' 62' ' ' THR . 33.4 t80 -121.85 113.63 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 80.53 1.81 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.49 45.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -99.12 118.66 36.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.46 146.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.15 176.78 4.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 22.1 mmt180 -119.84 159.34 24.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.79 -32.6 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -80.97 5.42 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 96.0 m-20 -104.8 134.15 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -88.55 138.61 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.441 ' N ' HG21 ' A' ' 71' ' ' ILE . 20.8 mt -43.95 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -47.85 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.99 -41.5 62.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 10.9 mmt180 -75.13 -32.23 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.49 -30.75 2.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 48.6 mt -42.98 109.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.22 -166.32 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.26 122.66 24.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.46 48.69 5.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -114.28 163.24 15.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -113.75 132.83 55.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 59' ' ' LEU . 36.7 t -133.46 136.24 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -89.0 130.03 35.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.6 p -100.21 151.04 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.456 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 6.6 t -137.5 158.23 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.401 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 13.1 p -148.37 55.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 34' ' ' ALA . 6.4 mm -89.07 161.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.457 HD13 ' CB ' ' A' ' 35' ' ' GLU . 14.4 pt -138.55 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 62.9 ttp85 -117.93 102.75 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.84 125.34 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' SER . 14.9 m -82.24 109.63 16.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -86.81 120.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -102.44 117.66 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 8.7 p -110.36 157.98 36.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.57 6.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 173.94 -53.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.3 t0 -143.1 179.07 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -118.24 141.45 48.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 166.19 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.09 135.32 53.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -124.58 142.19 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 56.7 m-85 -123.46 101.04 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.52 165.7 25.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -47.21 131.02 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.457 ' CB ' HD13 ' A' ' 18' ' ' ILE . 1.4 pt-20 -67.73 -21.82 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.64 25.18 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.495 ' OG ' ' CB ' ' A' ' 34' ' ' ALA . 22.0 m -88.71 111.99 22.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -37.23 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 13.8 t -46.44 -44.82 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -64.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 18.9 mtt180 -44.08 -55.24 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.52 -36.61 23.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 1.7 mttt -70.77 -43.53 68.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 39.8 mttt -47.44 -39.73 16.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -47.0 86.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 50' ' ' LEU . 17.9 mt -63.14 -54.89 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.423 ' CA ' HD13 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -53.13 -29.77 33.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.33 -66.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 19.9 t80 -60.35 -51.54 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.2 mp -65.67 -13.4 59.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER 39.57 53.63 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 m -115.8 -97.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.84 127.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -13.15 56.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 5.0 t70 -75.61 -25.14 56.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -109.84 19.32 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 35.5 mt -109.24 129.16 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 t -121.48 135.98 59.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.519 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.11 126.23 42.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -138.56 108.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 32.5 t80 -108.31 138.48 44.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 61' ' ' PHE . 13.0 t 52.35 20.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 -8.43 79.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -98.54 123.88 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.54 148.31 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 77' ' ' ILE . 25.2 mt -109.91 -159.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -152.14 140.34 20.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -48.48 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -65.6 -25.73 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' ARG . 88.1 m-20 -82.41 135.08 35.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.3 mp -87.61 164.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.494 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 14.2 mt -68.25 -70.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -44.61 -55.65 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.08 -46.54 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -65.82 -38.03 87.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.22 -31.2 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 18.7 mt -41.06 114.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -120.55 -167.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.99 119.78 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.21 3.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -112.68 147.06 37.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.7 m -103.18 111.12 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.519 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 19.8 t -113.83 130.89 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.13 130.21 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' CG2' HG21 ' A' ' 46' ' ' ILE . 4.9 p -101.51 149.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 9.0 t -138.63 147.0 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.3 t -127.69 64.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 55' ' ' ASP . 11.3 mtm105 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 34' ' ' ALA . 13.2 mm -80.19 158.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -140.76 155.25 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 3.8 ttm180 -92.27 102.87 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.9 127.06 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m -83.56 111.12 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' HIS . 39.6 t -90.55 120.21 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 117.73 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.7 p -110.82 156.77 40.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.38 5.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.3 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.9 -175.05 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 p -124.14 139.68 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.744 ' CE1' ' CE1' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -140.58 156.06 46.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.556 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.25 125.6 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -112.24 152.6 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 28.8 m-85 -125.1 101.85 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.26 164.45 28.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.526 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -41.25 137.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.71 -28.84 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -95.57 -8.88 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -53.09 119.36 4.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -45.04 155.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' CB ' ' A' ' 59' ' ' LEU . 16.2 t -54.13 -51.61 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.28 -59.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -47.89 -54.12 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.95 -42.62 48.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -59.22 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -49.46 -50.8 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -33.67 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG21 ' CG2' ' A' ' 85' ' ' VAL . 22.0 mt -74.83 -42.09 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 p -64.82 -22.75 67.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -73.94 -66.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 62.6 t80 -55.53 -73.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER 87.69 27.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.05 -166.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.37 114.5 28.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -50.08 -41.84 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -26.55 27.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -103.04 13.83 33.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 95.4 mt -104.95 144.39 31.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.21 140.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.07 127.52 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.94 108.11 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CD1' HG13 ' A' ' 77' ' ' ILE . 31.6 t80 -109.72 109.74 20.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.17 -1.86 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.17 -19.73 13.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.85 125.03 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.45 137.73 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.96 -178.58 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.06 160.44 23.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -65.77 -47.0 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -65.9 -10.18 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -93.19 135.08 34.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -85.25 164.56 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 16.4 mt -67.8 -70.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' GLY . 28.0 p -46.18 -56.26 5.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -46.39 -35.68 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -81.46 -27.6 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 134.66 -37.02 2.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 61' ' ' PHE . 28.6 mt -40.47 112.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.27 -168.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 124.77 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.59 51.04 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.8 m -112.88 158.14 20.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -112.24 123.14 49.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 59' ' ' LEU . 21.3 t -124.18 130.01 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -81.9 130.91 35.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.405 ' CG2' HG21 ' A' ' 46' ' ' ILE . 6.1 p -102.29 149.79 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.462 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.0 t -142.08 153.57 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.25 67.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 34' ' ' ALA . 8.1 mm -90.86 157.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.3 pt -139.77 153.5 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 18.8 ttt180 -92.41 102.57 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.24 118.68 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -75.65 110.31 9.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -89.98 120.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 117.76 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 p -112.6 157.94 38.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 179.47 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.85 -175.84 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 p -123.76 138.07 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -133.69 164.87 26.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -127.43 113.88 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -101.17 150.81 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.542 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 23.8 m-85 -127.95 101.59 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.71 165.66 25.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.523 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -43.62 140.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 6.0 pt-20 -77.33 -11.92 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -111.38 0.19 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -62.79 111.63 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -39.19 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 5.3 t -53.17 -51.78 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.401 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -39.14 -58.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -50.67 -54.14 25.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.37 -33.54 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 5.0 mttt -72.46 -44.16 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -50.13 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -43.95 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 HG22 ' CD1' ' A' ' 50' ' ' LEU . 14.5 mt -64.39 -54.53 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 p -46.95 -34.32 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -64.06 -68.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 62.3 t80 -60.13 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' CD1' HG22 ' A' ' 46' ' ' ILE . 6.4 mp -44.59 -27.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 81.3 m-70 65.0 50.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.4 p -132.23 -170.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -99.46 135.54 40.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.3 -16.8 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.27 -16.15 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -111.92 4.03 17.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 87.1 mt -96.05 138.46 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 65' ' ' ILE . 9.7 t -130.04 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.49 129.4 44.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.92 106.91 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 33.4 t80 -111.17 109.64 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 85.09 -32.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.02 -18.89 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -87.4 117.75 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 58' ' ' VAL . 2.7 mp -69.36 128.69 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 mt -81.06 -149.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -139.61 -92.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -172.9 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -84.85 9.94 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . 1.5 m-20 -98.2 141.99 30.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.559 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -90.09 139.48 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 23.1 mt -52.11 -70.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 t -42.0 -46.77 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.41 -55.94 13.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 70' ' ' ASP . 46.2 mmt-85 -60.4 -38.23 83.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.91 -22.66 2.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.575 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 39.5 mt -47.69 105.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tp -108.6 -161.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.6 137.52 36.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.26 33.7 68.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -98.59 163.74 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.776 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -114.26 130.33 56.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 59' ' ' LEU . 22.5 t -131.26 129.19 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -82.65 133.49 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.6 p -103.13 153.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 6.1 t -142.59 155.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -145.57 57.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -124.18 163.45 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -149.22 169.61 20.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -172.7 16.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.98 127.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.59 166.76 19.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.45 174.65 26.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.77 104.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.1 m -79.86 109.78 14.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.43 101.07 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -110.37 -49.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -171.02 156.38 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.77 -59.8 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.57 168.12 20.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.92 113.09 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 34' ' ' ALA . 2.7 mm -73.23 151.57 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 pt -134.43 156.18 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 16.3 ttp180 -93.49 102.82 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG13 ' CZ ' ' A' ' 42' ' ' PHE . 87.3 t -103.84 116.52 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 m -75.17 110.36 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' HIS . 44.1 t -88.46 121.45 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 117.66 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.6 p -110.3 159.16 33.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 18.3 Cg_endo -74.98 68.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER 166.69 -61.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.96 -169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -128.18 144.45 51.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.327 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.3 t60 -140.53 156.95 46.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -113.47 142.16 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 15.2 m-85 -121.75 102.2 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.53 165.58 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.523 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -52.19 127.31 21.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.65 -23.82 67.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -99.32 37.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 33' ' ' LEU . 19.2 m -104.02 111.51 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.1 p-10 -39.74 149.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 18.7 t -43.42 -45.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -48.52 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' ARG . 19.4 mtt-85 -38.61 -56.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -49.36 -42.24 41.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -60.56 -54.48 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.81 -48.32 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.93 -38.9 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 50' ' ' LEU . 8.5 mt -72.18 -47.38 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 p -55.28 -27.9 49.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -68.64 -53.92 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 61.6 t80 -75.77 -66.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' CD1' HG21 ' A' ' 46' ' ' ILE . 6.6 mp -45.68 -26.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 88.8 m-70 64.54 32.8 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 53' ' ' ASN . 14.1 p -106.16 -153.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.2 m-80 -117.92 128.66 55.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.48 60.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -115.42 -2.85 12.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 77.9 mt -84.75 142.34 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 t -130.14 133.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -91.86 129.11 37.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.63 109.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 24.7 t80 -115.27 113.52 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.43 1.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.6 -16.58 31.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -92.64 127.47 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.21 138.5 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD21 ' NE ' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -102.88 -175.43 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.0 mmt180 -130.58 138.73 50.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.22 -26.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -90.88 34.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.465 ' OD2' ' CZ ' ' A' ' 75' ' ' ARG . 7.0 m-20 -141.54 134.26 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.5 mp -80.99 162.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 22.2 mt -69.45 -70.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -57.19 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -44.59 -42.44 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 10.8 mmt180 -71.53 -37.26 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.03 -23.79 2.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.571 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 27.0 mt -50.17 108.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.45 -165.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.38 125.03 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.51 41.96 8.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 m -105.68 164.32 12.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -116.53 123.67 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.02 133.22 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.365 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -85.9 131.87 34.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.44 151.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.459 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.4 t -143.07 154.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.41 65.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.86 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -157.34 116.75 3.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.86 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.634 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.6 t -179.06 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 137.95 174.65 13.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.462 1.77 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -83.36 164.98 19.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.89 106.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.81 97.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 p -170.4 133.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.71 179.82 22.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -171.25 131.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.25 160.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.62 101.33 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -114.83 129.23 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m 49.28 90.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.01 123.57 5.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.29 107.51 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.54 152.59 63.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.5 4.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.7 80.67 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -51.23 170.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 131.51 47.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 34' ' ' ALA . 15.5 mm -86.29 160.08 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.5 176.68 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' NE ' ' OE1' ' A' ' 30' ' ' GLU . 9.7 ttt180 -107.79 102.79 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.86 120.39 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 m -85.59 108.85 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.6 t -89.23 120.63 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.83 117.8 31.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.9 p -109.93 159.36 32.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 62.38 5.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -49.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.32 -168.07 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -122.89 144.48 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -144.6 105.64 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 4.6 mt-10 -73.89 131.32 41.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 29' ' ' HIS . 68.1 m-85 -113.64 167.32 10.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -139.04 102.0 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.67 165.35 25.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -47.51 131.18 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -68.07 -8.3 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.77 39.04 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -102.65 116.73 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.1 p-10 -38.8 152.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 t -48.52 -46.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 41' ' ' ARG . 1.2 ttt180 -47.23 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ARG . 15.4 mtt180 -39.16 -57.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -47.86 -44.14 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -61.14 -44.43 97.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -45.26 -54.21 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -40.74 52.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG21 ' CG2' ' A' ' 85' ' ' VAL . 13.9 mt -70.75 -51.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -51.1 -21.79 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -76.63 -70.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CD2' HD11 ' A' ' 50' ' ' LEU . 16.3 t80 -54.62 -52.53 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 49' ' ' TYR . 3.8 mp -70.22 -7.62 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.6 p80 41.22 56.52 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -129.39 -174.62 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.17 129.96 43.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.97 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.43 -15.7 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -6.1 15.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.91 142.17 28.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 t -130.02 139.46 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -99.28 127.6 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.56 106.92 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 10.2 t80 -112.18 112.81 24.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.48 -2.76 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.09 0.59 30.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.14 126.0 50.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.38 130.58 34.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.4 mt -94.92 -170.61 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.9 mmt180 -141.7 136.86 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -28.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -90.41 34.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.7 m-20 -142.0 138.49 31.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -86.88 158.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' CD1' HD21 ' A' ' 33' ' ' LEU . 26.3 mt -67.31 -70.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -46.49 -54.55 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.62 -44.98 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.422 ' NE ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 mmt180 -68.06 -42.01 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 -31.21 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 22.3 mt -46.49 110.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -112.33 -165.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.57 126.34 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.19 46.76 9.84 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 m -110.7 158.4 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -108.19 131.59 54.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 59' ' ' LEU . 11.8 t -132.94 128.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.01 134.26 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 46' ' ' ILE . 9.8 p -104.03 149.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.7 t -141.01 152.11 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.95 68.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -39.84 141.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -148.41 155.14 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.7 m80 69.15 161.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 t -140.88 96.69 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.21 -145.8 18.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 p -45.45 109.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -151.51 137.45 18.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.05 -58.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.2 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.97 -102.3 0.39 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 57.52 83.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 0.747 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -153.07 156.17 38.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.19 100.32 0.13 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.46 141.23 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.7 p -66.27 146.06 55.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 83.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.57 144.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.1 151.32 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.53 6.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -56.72 3.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.59 130.27 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.66 115.54 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 34' ' ' ALA . 11.5 mm -77.73 128.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 14.6 pt -105.98 164.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 ttp85 -106.88 102.58 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.84 126.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 m -79.44 109.38 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.445 ' CG2' ' CD1' ' A' ' 31' ' ' PHE . 39.7 t -87.56 120.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.43 117.75 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.5 p -111.84 157.92 38.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 60.5 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 179.29 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.82 -174.42 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.44 137.89 54.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 108.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.21 137.49 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -99.57 126.84 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 20.5 m-85 -107.17 153.32 22.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 19.9 m-85 -127.49 101.78 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.76 165.51 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -48.63 135.45 14.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 17.6 pt-20 -74.01 -4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.24 29.06 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.17 123.2 38.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.1 155.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 15.6 t -50.07 -47.12 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -45.88 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -42.97 -54.66 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 33' ' ' LEU . 1.1 t80 -50.43 -39.19 46.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.81 -45.44 82.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -50.92 -49.71 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.72 -34.08 17.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 50' ' ' LEU . 11.3 mt -74.95 -43.6 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.2 p -58.63 -18.95 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -53.78 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.587 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 75.4 t80 -80.9 -68.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 46' ' ' ILE . 5.9 mp -42.51 -31.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 78.9 m-70 64.54 48.43 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.6 m -127.89 172.12 11.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.353 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.73 126.26 32.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 -15.01 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.21 -17.94 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -113.5 5.49 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 54.3 mt -91.19 142.31 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.19 135.24 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD12 ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -96.79 129.01 44.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.94 114.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CG ' HG13 ' A' ' 77' ' ' ILE . 35.3 t80 -116.79 137.49 52.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.29 20.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.68 77.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.2 mmmt -95.71 123.59 39.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.27 148.16 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.4 mt -115.24 -169.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -143.36 143.38 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -31.73 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.419 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.0 pt20 -90.13 36.21 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ARG . 12.2 m-20 -140.24 143.65 36.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.564 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -90.94 162.5 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 1.3 mt -75.89 -69.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -54.19 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -43.59 -55.02 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 47.2 mmt-85 -61.32 -40.19 93.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.52 -29.07 1.62 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.52 HG13 ' CG ' ' A' ' 61' ' ' PHE . 40.3 mt -40.84 106.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.34 -164.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -76.84 130.93 38.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.37 42.72 33.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -104.43 163.0 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -115.6 123.04 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG1' HD12 ' A' ' 59' ' ' LEU . 41.0 t -124.43 136.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -89.12 131.51 35.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.571 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.9 p -100.21 149.47 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 6.6 t -141.02 151.57 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.5 t -135.75 69.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.75 145.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.85 137.12 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -127.81 85.11 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.618 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.49 95.1 8.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 105.11 2.97 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 120.84 6.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 m 63.49 117.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 m 63.81 81.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -169.35 168.76 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -134.58 101.31 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.5 141.02 11.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -134.28 78.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.8 92.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.08 94.03 0.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 m 44.89 -167.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -95.56 166.78 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.47 160.01 1.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.77 159.84 40.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 58.66 163.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 72.01 4.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.65 102.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -65.03 161.6 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 107.63 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 34' ' ' ALA . 5.6 mm -67.86 135.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 15.2 pt -117.31 157.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 ttt180 -98.79 102.64 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.9 t -102.75 119.91 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -75.02 111.7 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.3 t -91.3 120.14 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 117.97 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.0 p -110.12 158.28 35.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 61.02 5.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 176.96 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -173.93 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.33 138.86 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 136.82 32.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.641 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.88 135.4 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -115.98 163.12 16.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 17.4 m-85 -135.93 102.17 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.76 165.54 25.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -53.23 130.17 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 10.6 pt-20 -64.53 -19.15 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -107.79 40.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' ASN . 16.5 m -107.79 113.3 26.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.7 p-10 -38.97 154.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.483 HG12 ' CB ' ' A' ' 59' ' ' LEU . 23.1 t -52.31 -45.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 14.9 mtt180 -44.41 -54.37 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.72 -40.27 39.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -63.95 -48.21 77.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -49.08 -50.14 38.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -37.13 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 50' ' ' LEU . 12.3 mt -70.92 -46.63 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -56.83 -22.97 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -69.97 -51.59 31.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.598 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 72.0 t80 -82.08 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 46' ' ' ILE . 5.9 mp -44.31 -27.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 87.8 m-70 65.16 31.35 10.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.8 m -109.61 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -97.56 125.84 42.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.23 -13.75 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.75 -15.78 59.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.82 -4.52 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.423 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 78.3 mt -82.72 140.54 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.26 131.63 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CB ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -90.47 125.69 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.38 106.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CD2' HG23 ' A' ' 62' ' ' THR . 29.6 t80 -108.01 136.03 48.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.556 HG23 ' CD2' ' A' ' 61' ' ' PHE . 12.6 t 52.62 21.91 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.99 -4.0 86.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.61 118.14 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.58 134.15 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' CD1' ' CD1' ' A' ' 77' ' ' ILE . 45.1 mt -94.83 -166.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 10.7 mmt180 -142.94 140.97 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -52.95 -36.66 60.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.86 3.85 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 67.0 m-20 -113.97 135.36 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -80.45 164.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.502 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 3.0 mt -70.79 -68.98 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' GLY . 41.0 t -48.55 -58.03 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -43.27 -36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -78.18 -39.09 41.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 149.73 -33.0 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.484 ' CD1' ' CD1' ' A' ' 66' ' ' LEU . 37.0 mt -43.12 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.94 -167.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 127.96 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.72 45.61 16.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 m -108.4 170.1 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -117.58 132.91 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 59' ' ' LEU . 41.0 t -134.88 137.77 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -90.55 131.12 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.8 p -101.13 152.58 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.2 t -143.1 152.17 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.4 p -136.45 68.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' VAL . 10.2 mtp180 -38.66 131.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 173.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -141.75 121.52 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.36 149.04 37.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.1 -81.11 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.72 6.89 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.91 -58.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -120.46 115.4 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.92 107.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.16 153.94 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.11 146.99 50.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -116.55 -58.37 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.13 160.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.48 124.72 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m 40.59 56.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.3 m -110.67 162.84 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.24 151.49 15.31 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -78.72 152.7 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 58.67 156.25 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.4 p -89.93 115.9 27.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' OD1' ' A' ' 36' ' ' ASN . 0.3 OUTLIER 60.33 176.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.33 129.2 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 33' ' ' LEU . 17.7 mm -85.84 156.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.3 pt -139.71 154.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.9 ttt180 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.87 121.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -76.64 109.82 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.41 119.99 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.37 117.53 34.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.4 p -108.54 159.36 31.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.26 6.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.09 -168.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 p -128.13 140.65 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -134.96 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.71 120.66 29.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 28.1 m-85 -131.05 101.62 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.74 165.54 25.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.516 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -43.43 136.55 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 9.7 pt-20 -74.75 -16.79 60.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -113.61 28.61 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.38 155.69 19.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -78.25 153.42 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 t -51.74 -45.07 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -66.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 mtt-85 -45.95 -53.43 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 59' ' ' LEU . 1.5 t80 -50.29 -35.84 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -71.17 -44.14 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.14 -48.15 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -42.61 68.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 50' ' ' LEU . 9.0 mt -66.73 -52.67 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -51.63 -28.09 13.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.451 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 54.3 t80 -70.39 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 46' ' ' ILE . 6.6 mp -50.2 -23.61 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 75.0 m-70 59.25 51.06 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 p -129.49 -174.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.4 133.42 42.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -11.98 60.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.69 -18.56 58.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -111.7 2.32 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 64.5 mt -92.86 137.13 32.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.46 136.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.498 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.63 130.28 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.5 107.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.54 ' O ' ' CB ' ' A' ' 62' ' ' THR . 30.1 t80 -111.42 109.91 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.54 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 86.0 -19.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.16 -12.82 4.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -94.62 123.03 37.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.94 142.88 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.82 171.16 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ASP . 8.7 mmt180 -123.74 149.22 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -43.47 -54.15 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 25.3 pt20 -54.85 -33.23 61.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.9 m-20 -71.48 134.59 46.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -90.41 164.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 18.8 mt -73.69 -70.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -53.86 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.054 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.23 -58.19 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 mmt-85 -57.22 -33.81 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 139.68 -30.34 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.518 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 48.0 mt -39.85 105.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -115.77 -163.06 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.61 132.53 42.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.31 41.71 44.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -107.45 157.15 18.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -111.9 124.49 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.498 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -124.37 129.69 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -84.7 130.0 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.0 p -101.45 151.09 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.447 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.2 t -142.75 152.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.416 ' N ' HG12 ' A' ' 86' ' ' VAL . 2.7 t -131.81 71.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -39.78 155.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -151.92 -55.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -160.71 66.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -68.02 118.91 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.18 -86.05 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.17 4.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.4 p -149.12 106.74 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.83 -59.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p -162.91 124.73 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.36 127.27 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.19 -137.87 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.414 1.072 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.28 143.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 0.784 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -130.82 113.29 13.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' SER . . . 164.28 -96.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t 67.47 -72.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.3 m 55.81 85.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.7 128.1 8.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 153.97 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.33 151.32 2.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -34.68 3.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 t 62.63 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' OD1' ' A' ' 36' ' ' ASN . 14.7 m -83.03 175.48 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 120.8 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 34' ' ' ALA . 10.1 mm -82.34 157.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 8.2 pt -135.8 -178.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.7 ttp180 -114.28 102.9 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 t -110.76 122.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -85.01 110.37 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.6 t -89.34 120.43 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.88 117.81 31.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 p -109.72 158.66 34.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.79 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.8 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -171.91 4.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.18 142.75 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.25 105.68 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -74.41 130.89 40.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -114.13 165.85 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 m-85 -139.07 101.84 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.78 165.39 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -40.81 137.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 1.7 pt-20 -77.36 -20.65 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.499 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -111.47 27.3 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -87.59 154.1 20.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.023 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 4.2 p-10 -76.01 152.76 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -51.53 -49.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.56 -61.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 mtt-85 -49.39 -52.54 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.453 ' CE1' HD11 ' A' ' 33' ' ' LEU . 1.1 t80 -50.88 -35.21 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -70.23 -44.92 67.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -48.07 -49.74 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -44.27 64.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 50' ' ' LEU . 11.3 mt -64.49 -53.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.16 -36.91 6.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -55.86 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -62.24 -60.18 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.602 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.0 mp -51.69 -21.62 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 29.1 p80 52.86 51.1 16.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.2 m -131.94 -175.67 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.18 137.98 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.77 -14.67 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -75.67 -8.23 56.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.83 -10.11 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.75 137.62 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.57 138.47 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -95.55 127.82 41.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' CG1' HG12 ' A' ' 65' ' ' ILE . 3.5 mp -138.13 106.46 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 62' ' ' THR . 20.6 t80 -107.8 134.34 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.559 HG23 ' CD2' ' A' ' 61' ' ' PHE . 14.0 t 51.41 25.24 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.3 67.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' PHE . 4.2 mmtp -117.13 116.72 27.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' CG1' ' A' ' 60' ' ' ILE . 11.8 mt -63.43 136.06 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.419 HD21 ' NE ' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -116.66 171.73 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.08 151.16 47.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -55.23 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -52.79 -36.53 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 18.1 m-20 -69.73 129.53 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.8 mp -83.91 163.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.489 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 17.0 mt -68.2 -69.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.6 p -44.4 -61.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.79 -48.72 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' NE ' HD21 ' A' ' 66' ' ' LEU . 12.2 mmt180 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.74 -27.27 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.404 HG13 ' CG ' ' A' ' 61' ' ' PHE . 32.4 mt -48.77 108.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 0.815 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.39 -165.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.5 128.71 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.41 46.41 20.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -113.74 173.79 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.7 m -127.0 132.12 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG13 ' CD1' ' A' ' 59' ' ' LEU . 3.3 t -133.38 131.91 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -81.94 134.98 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.0 151.73 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.02 153.19 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.5 p -136.54 68.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 87' ' ' VAL . 8.6 mtp180 -38.52 151.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 t -169.29 168.86 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.8 -65.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.3 p -160.31 144.73 14.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 158.74 155.27 7.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -59.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -117.85 -54.42 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 m 61.02 83.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -138.11 -58.6 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -141.37 105.62 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.15 164.94 21.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 59.05 168.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.21 147.9 52.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.95 102.04 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -78.58 168.87 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.8 p -175.11 113.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.25 -130.91 51.7 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -116.32 121.89 43.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -125.7 156.93 70.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.18 39.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.37 123.56 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m 46.11 -164.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 117.27 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 34' ' ' ALA . 6.3 mm -84.3 155.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 10.5 pt -140.65 158.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.17 102.72 14.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.494 HG12 ' CZ ' ' A' ' 42' ' ' PHE . 61.9 t -105.7 114.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -76.97 109.58 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.11 121.8 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 117.42 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.2 p -111.0 159.52 32.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.95 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.38 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.87 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.541 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 12.7 p -117.82 149.67 40.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 28' ' ' CYS . 34.2 m170 -145.23 114.4 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.76 133.2 34.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -121.37 166.88 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.33 101.92 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.27 165.63 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -49.65 132.43 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.8 pt-20 -69.16 -14.63 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.24 39.19 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -104.26 113.48 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.68 151.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 10.0 t -43.48 -45.62 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -49.95 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -40.31 -55.76 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.494 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 1.2 t80 -49.28 -43.11 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 57' ' ' LEU . 5.2 mttt -62.45 -46.9 86.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -41.96 -53.54 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 50' ' ' LEU . 8.3 mt -64.53 -53.4 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 p -45.09 -36.48 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 3.2 mptt -67.43 -70.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.579 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 69.4 t80 -52.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 46' ' ' ILE . 7.1 mp -50.94 -22.99 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 89.2 m-70 61.62 50.99 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -168.66 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.83 130.34 48.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -65.83 -17.14 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.32 -27.14 66.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -100.63 -1.91 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 84.7 mt -88.78 142.43 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.3 130.53 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -88.68 127.22 35.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.9 108.59 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CD2' HG23 ' A' ' 62' ' ' THR . 39.3 t80 -106.57 130.83 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.565 HG23 ' CD2' ' A' ' 61' ' ' PHE . 13.5 t 51.86 20.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.37 -24.62 31.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 10.3 mptt -78.9 124.75 28.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.58 147.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD21 ' CG ' ' A' ' 75' ' ' ARG . 11.1 mt -112.5 -169.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 27.3 mmt180 -146.76 139.33 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.471 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 4.3 p30 -42.08 -35.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.418 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 15.6 pt20 -87.31 40.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' OD2' ' CZ ' ' A' ' 75' ' ' ARG . 1.1 m-20 -148.25 136.21 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.1 mp -81.95 159.12 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.427 ' N ' HG22 ' A' ' 71' ' ' ILE . 6.3 mt -72.01 -64.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLY . 54.0 p -48.12 -57.93 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.99 -44.44 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 15.1 mmt180 -69.19 -30.32 68.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 135.86 -32.38 2.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.4 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 50.0 mt -43.01 110.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.93 -167.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -73.36 129.61 38.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.07 47.31 24.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -109.81 161.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.0 m -110.36 123.43 49.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG13 ' CD1' ' A' ' 59' ' ' LEU . 37.7 t -125.7 132.44 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.45 133.86 34.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.83 149.14 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 5.7 t -137.29 155.2 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.7 63.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -39.44 156.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.8 t -174.27 154.93 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -116.01 100.48 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.6 -63.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.19 154.64 25.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.52 5.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -98.3 127.2 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 m -69.97 164.21 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t -136.83 90.02 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 57.26 93.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.51 -167.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -162.63 -56.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -54.39 -59.83 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.06 -99.27 1.53 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.21 147.02 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.67 114.08 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.47 -172.24 13.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.97 -60.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.263 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.36 161.9 38.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 82.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -55.6 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.2 160.34 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 127.87 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 34' ' ' ALA . 12.1 mm -81.33 159.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.2 pt -141.72 158.96 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 10.1 ttp-105 -95.05 102.81 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -104.6 116.79 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m -75.27 111.02 10.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -90.73 122.68 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.6 117.62 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.7 p -108.63 158.81 33.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.53 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 172.63 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -127.03 -168.9 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.09 132.62 49.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -128.1 161.1 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.42 125.72 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -112.36 149.8 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 9.6 m-85 -125.58 101.54 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.08 165.37 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -40.52 141.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 4.6 pt-20 -80.67 -7.55 59.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -117.48 4.37 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -66.28 113.74 4.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 3.0 p-10 -38.45 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -54.48 -43.45 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -62.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -47.05 -53.83 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.484 ' CE2' HD13 ' A' ' 59' ' ' LEU . 1.6 t80 -50.31 -38.43 41.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -66.22 -43.91 85.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.51 -48.6 78.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.25 -42.61 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 50' ' ' LEU . 9.1 mt -65.53 -52.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -33.94 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -59.66 -70.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.602 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 58.4 t80 -64.4 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 46' ' ' ILE . 6.0 mp -40.31 -29.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 82.3 m-70 64.7 49.95 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 89.2 m -127.36 -172.17 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.1 123.31 44.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -63.37 -22.87 67.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.24 -19.37 65.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -111.81 3.51 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 88.6 mt -90.65 138.38 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -130.11 129.84 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -85.46 130.45 34.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.07 107.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.519 ' O ' ' CG2' ' A' ' 62' ' ' THR . 30.1 t80 -109.12 130.69 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.41 21.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.82 -12.85 66.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.44 117.63 25.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.75 131.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 59' ' ' LEU . 6.9 mt -97.45 -176.89 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' CG ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -111.82 -87.69 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' CG ' ' C ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -178.77 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.29 1.65 35.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -95.75 139.95 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.5 mp -87.97 137.45 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.429 ' N ' HG23 ' A' ' 71' ' ' ILE . 47.7 mt -41.55 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.72 -52.91 16.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 58.6 mt-30 -43.95 -35.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -83.39 -46.06 12.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.52 -27.33 0.96 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 61' ' ' PHE . 27.2 mt -44.23 110.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -115.8 -168.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.48 131.98 43.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.217 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.76 43.41 35.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -108.23 159.62 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.8 m -113.25 127.1 56.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG1' HD12 ' A' ' 59' ' ' LEU . 21.6 t -126.35 130.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.5 130.13 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.1 p -98.9 150.01 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 5.2 t -142.99 153.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 t -137.47 73.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -39.28 151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.02 -59.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 63.44 123.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.19 88.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.85 157.36 51.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 83.65 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 -61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -77.86 126.89 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.42 132.19 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.777 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -170.08 161.91 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.4 89.72 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -170.99 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 0.816 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -115.97 -58.42 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.44 104.82 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.35 -47.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.41 96.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.66 -67.05 0.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.51 97.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.0 153.41 17.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.27 31.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -144.83 -55.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -57.74 170.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 115.63 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 34' ' ' ALA . 5.3 mm -76.98 156.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 18.1 pt -135.65 164.6 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 20.6 ttp180 -99.66 102.61 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -107.75 120.84 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -79.02 109.1 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' HIS . 52.5 t -87.61 121.08 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -106.77 117.29 33.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 3.2 p -110.86 163.35 17.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.0 7.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.99 -54.9 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -150.05 -174.41 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -115.18 127.51 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -137.69 150.23 47.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -110.93 132.55 54.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.426 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 23.6 m-85 -115.35 148.08 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 23.6 m-85 -125.93 103.53 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.4 165.38 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.523 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -46.66 132.02 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.4 pt-20 -72.92 -12.96 61.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -111.83 32.06 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -102.43 116.95 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.54 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.451 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 24.9 t -51.38 -49.24 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.66 -58.51 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -49.16 -53.24 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.27 -38.88 55.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -65.0 -50.39 66.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -46.87 -51.01 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.407 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.35 -38.96 55.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.45 HG21 ' CD1' ' A' ' 50' ' ' LEU . 14.0 mt -68.94 -49.61 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' HIS . 2.9 p -52.2 -40.54 61.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -47.83 -53.44 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 51' ' ' HIS . 58.3 t80 -83.73 -65.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 5.6 mp -43.53 -27.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 17.5 p80 55.95 31.63 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.407 ' HB3' ' CG1' ' A' ' 87' ' ' VAL . 73.7 m -119.14 133.57 55.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' CYS . 6.0 m-80 -40.31 129.65 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.465 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -70.67 -23.37 62.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.4 -20.76 64.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -106.56 3.75 27.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 80.1 mt -90.05 142.97 27.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.14 142.51 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.499 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -104.16 125.28 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -138.45 118.52 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' A' ' 77' ' ' ILE . 7.7 t80 -118.86 115.63 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 84.14 -40.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.66 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -87.49 146.5 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.56 152.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 59' ' ' LEU . 3.1 mt -107.2 -171.61 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.49 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -29.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.4 pt20 -92.11 40.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' OD2' ' NE ' ' A' ' 75' ' ' ARG . 2.3 m-20 -145.22 143.2 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -90.0 161.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 23.1 mt -70.73 -70.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -56.92 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -45.63 -44.02 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.424 ' NE ' ' OD2' ' A' ' 70' ' ' ASP . 8.3 mmt180 -68.25 -45.22 73.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.86 -28.81 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 61' ' ' PHE . 16.4 mt -49.48 110.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -113.97 -167.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.56 124.89 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.82 47.46 7.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -112.75 168.54 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -120.02 123.71 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.499 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -122.56 128.77 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -83.08 131.07 35.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.73 153.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.455 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.1 t -143.06 153.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 52' ' ' CYS . 16.4 t -133.44 67.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -38.96 155.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.4 t -160.72 152.63 19.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -163.43 107.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.71 81.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -147.23 97.26 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 m -121.46 -59.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.63 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -74.77 111.71 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.18 118.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.94 122.02 7.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 p -83.33 -57.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.039 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -124.15 147.51 47.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.27 80.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -101.05 137.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.28 161.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 -172.9 48.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.8 mtt180 -84.72 -56.32 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.77 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.4 pt-20 54.5 159.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.33 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -86.24 134.61 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -53.73 172.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 119.82 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 34' ' ' ALA . 8.8 mm -77.77 146.46 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 12.4 pt -130.8 156.48 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 14.2 ttp-105 -94.27 102.86 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.81 119.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -75.19 113.14 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' HIS . 42.8 t -91.42 122.54 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.49 118.01 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.1 p -112.41 156.88 41.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 68.06 5.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 169.44 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -148.83 -172.02 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.39 142.81 51.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.494 ' CE1' ' CE2' ' A' ' 49' ' ' TYR . 1.7 t-80 -141.25 158.63 43.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.98 131.79 56.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.02 145.21 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 40.9 m-85 -120.7 101.82 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.45 165.24 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -48.82 133.41 17.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 13.5 pt-20 -68.09 -23.19 64.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.17 38.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ASN . 3.3 m -102.5 111.03 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.56 148.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 t -43.57 -47.25 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -46.22 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ARG . 11.2 mtt-85 -37.97 -56.77 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.409 ' CE1' HD12 ' A' ' 33' ' ' LEU . 1.1 t80 -47.64 -46.96 29.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 57' ' ' LEU . 16.3 mttt -55.02 -47.7 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.457 ' HE2' ' CD ' ' A' ' 40' ' ' ARG . 12.3 mmtt -44.93 -51.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.72 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.486 HG21 ' CD1' ' A' ' 50' ' ' LEU . 12.2 mt -67.5 -50.92 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 p -48.01 -35.96 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -70.88 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.494 ' CE2' ' CE1' ' A' ' 29' ' ' HIS . 54.2 t80 -55.6 -63.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' CD1' HG21 ' A' ' 46' ' ' ILE . 7.8 mp -56.16 -24.47 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 62.94 53.33 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.61 -170.08 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.98 131.63 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -70.24 -14.15 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.46 -17.16 62.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -112.88 4.69 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 91.4 mt -92.42 139.62 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.13 132.34 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.557 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.66 127.77 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.96 106.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 62' ' ' THR . 25.9 t80 -109.16 141.2 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.524 HG21 ' CD2' ' A' ' 61' ' ' PHE . 13.2 t 52.25 23.5 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.08 -2.32 87.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -105.07 124.75 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.5 143.23 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' CD1' HD11 ' A' ' 77' ' ' ILE . 21.0 mt -106.03 -155.73 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mmt180 -152.14 138.18 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 69' ' ' GLN . 2.3 p30 -44.65 -47.37 10.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 8.9 pt20 -64.95 -32.02 73.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' ARG . 72.5 m-20 -74.24 138.02 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.8 mp -87.0 164.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 1.6 mt -69.03 -70.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -49.22 -57.89 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -43.46 -34.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -81.05 -38.03 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 146.66 -26.85 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.468 HG13 ' CD1' ' A' ' 61' ' ' PHE . 27.7 mt -48.65 109.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.89 -165.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 131.15 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.78 47.29 40.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.971 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.4 m -112.72 127.78 56.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.557 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 14.9 t -129.07 131.73 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.9 129.78 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.8 p -98.0 154.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.42 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 27.8 t -143.03 151.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.19 69.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -39.65 138.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.8 p -179.76 94.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m80 61.76 168.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -138.98 95.12 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.69 -146.08 18.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.2 p -135.28 80.89 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 t 63.46 92.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -143.04 77.29 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -45.5 -61.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.47 86.24 1.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -174.36 141.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -155.63 -56.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.7 -145.6 12.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.419 1.074 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -130.39 169.09 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 p -157.98 82.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.971 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.69 77.17 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -171.99 131.12 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 61.64 159.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -43.82 -52.04 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.9 m -157.17 163.98 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 139.91 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 34' ' ' ALA . 5.0 mm -91.42 154.56 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 13.2 pt -139.91 158.6 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 25.2 ttp180 -94.33 102.85 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.49 121.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -76.46 112.5 13.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.23 120.31 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.12 117.81 34.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 p -108.16 156.96 37.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.25 4.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.45 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -168.33 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.32 142.21 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 108.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -137.54 161.02 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -124.27 120.06 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -108.41 149.48 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 19' ' ' ARG . 42.0 m-85 -127.73 101.93 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.03 165.26 26.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.523 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -43.74 133.26 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -66.95 -20.99 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -115.08 47.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.431 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -106.73 118.48 36.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.512 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.8 p-10 -39.58 151.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 30.7 t -50.13 -44.5 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -47.38 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.512 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 6.6 mtt-85 -38.92 -56.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.58 -40.02 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.79 -52.75 55.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -43.81 -49.92 7.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.24 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 50' ' ' LEU . 11.2 mt -73.26 -47.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 p -53.05 -27.84 21.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -68.51 -60.38 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 61.7 t80 -68.86 -66.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 46' ' ' ILE . 6.5 mp -44.66 -28.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 70.2 m-70 65.03 39.93 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' CD2' ' A' ' 57' ' ' LEU . 20.8 p -118.03 -158.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.45 135.84 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.25 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -76.76 -16.21 59.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.98 -1.52 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 83.5 mt -90.55 138.27 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.515 ' CG2' ' NH2' ' A' ' 88' ' ' ARG . 66.8 t -128.06 134.27 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD13 ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -94.9 128.06 41.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.416 HD13 ' CG1' ' A' ' 58' ' ' VAL . 3.4 mp -137.69 109.54 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' HG13 ' A' ' 77' ' ' ILE . 24.6 t80 -113.05 112.17 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.96 -1.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.67 -10.2 30.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.125 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -96.55 127.46 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.55 135.31 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.73 -174.24 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -132.48 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -20.99 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -95.23 32.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 33.2 m-20 -141.12 144.76 35.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -90.36 161.63 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 1.2 mt -72.26 -61.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -51.55 -55.55 18.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -48.23 -46.03 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 14.0 mmt180 -65.83 -37.2 85.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.1 -26.73 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 61' ' ' PHE . 20.8 mt -47.81 110.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -115.17 -166.05 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 125.77 29.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.59 8.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -108.44 157.56 18.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 m -109.02 121.92 46.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 59' ' ' LEU . 20.1 t -123.69 131.46 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -84.39 128.35 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.68 147.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.8 t -132.73 149.88 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 87' ' ' VAL . 9.8 p -145.47 68.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.515 ' NH2' ' CG2' ' A' ' 58' ' ' VAL . 51.3 mtm180 -45.66 -24.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 87' ' ' VAL . 47.2 t -51.22 93.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' ARG . 62.5 m170 65.73 81.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -158.64 143.74 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.52 157.06 32.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 67.31 5.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.0 p -134.47 92.53 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -61.92 170.11 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p -159.86 80.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.99 164.72 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.86 -113.74 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -167.56 101.08 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -171.79 109.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' O ' ' CG1' ' A' ' 8' ' ' VAL . . . -63.2 -125.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 6.1 p 50.98 177.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.81 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.35 -107.59 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -151.59 96.17 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -147.48 160.39 39.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 82.79 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -109.51 -62.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -150.07 -175.89 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 123.66 25.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -85.25 153.37 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 9.9 pt -136.81 158.16 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 22.7 ttp180 -88.54 102.56 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG12 ' CE2' ' A' ' 42' ' ' PHE . 32.8 t -109.99 116.89 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -76.04 143.97 41.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.37 119.83 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.66 117.94 33.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 59.1 p -110.46 158.96 33.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.08 4.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.04 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.8 t0 -127.35 -168.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.21 136.36 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 108.259 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -133.68 165.78 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.645 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.07 144.55 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -132.16 140.42 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 31.6 m-85 -121.44 104.43 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.78 165.09 26.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -43.64 132.64 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 5.5 pt-20 -69.89 -13.44 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -117.69 39.28 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -104.0 114.78 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -39.35 151.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 t -49.23 -45.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -66.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' NH1' ' OD1' ' A' ' 38' ' ' ASN . 15.3 mtt85 -42.96 -54.49 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CE2' HG12 ' A' ' 20' ' ' VAL . 1.1 t80 -49.72 -41.89 44.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -44.82 -50.06 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -44.19 32.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG22 ' CD1' ' A' ' 50' ' ' LEU . 14.0 mt -67.14 -50.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 p -52.8 -35.13 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -54.44 47.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 49.8 t80 -78.35 -69.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD1' HG22 ' A' ' 46' ' ' ILE . 6.2 mp -41.05 -32.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 77.7 m-70 65.38 48.27 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.4 m -139.33 142.22 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.27 143.95 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.16 -19.16 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.59 -20.34 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -107.3 1.98 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 87.4 mt -92.3 124.55 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.5 t -118.46 127.83 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.81 125.42 33.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.17 110.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' ILE . 5.0 t80 -119.6 117.59 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 79.31 7.58 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.92 6.54 59.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -112.52 127.12 55.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.33 125.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 59' ' ' LEU . 11.2 mt -84.98 -159.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 32.4 mmt180 -153.53 139.5 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -47.67 -41.56 22.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -70.37 -27.0 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.25 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ARG . 39.2 m-20 -78.21 139.23 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.564 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -93.96 147.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 20.5 mt -48.01 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -57.91 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.465 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 67.7 mt-30 -40.73 -34.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -83.13 -49.93 8.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.24 -32.18 0.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 61' ' ' PHE . 11.4 mt -43.4 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.52 -165.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.94 128.42 35.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.79 52.2 9.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -120.58 155.02 34.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.8 m -108.07 139.69 42.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 59' ' ' LEU . 2.5 t -136.48 143.45 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.44 137.74 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.55 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.9 p -105.31 149.91 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.455 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.3 t -133.68 154.25 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -139.68 63.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -39.04 158.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -177.02 128.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -144.51 146.73 32.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.0 m 57.07 168.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.91 123.7 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.02 26.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.46 167.13 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 m 63.7 130.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.43 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.18 158.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.31 100.97 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 160.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -130.86 153.89 48.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.55 59.86 7.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.41 136.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.55 86.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.07 -82.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.75 163.42 30.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.21 151.79 38.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 102.31 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.4 p -65.56 104.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 176.31 8.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 109.65 21.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.416 HD13 ' N ' ' A' ' 34' ' ' ALA . 21.2 mm -75.85 150.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 12.1 pt -133.14 161.05 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' NE ' ' OE2' ' A' ' 30' ' ' GLU . 15.7 ttp-105 -99.46 103.06 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -108.73 121.3 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -79.93 108.64 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.2 t -87.38 119.81 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.3 117.29 32.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 p -113.44 159.92 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.2 Cg_endo -75.0 48.14 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.52 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.7 178.28 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.34 145.13 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -144.9 118.42 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.595 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.1 mt-10 -88.28 127.89 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -115.24 166.19 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -139.25 102.21 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.563 HD13 ' CE1' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -135.3 165.52 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.518 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -50.54 135.14 23.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 12.8 pt-20 -75.53 -4.39 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.12 15.89 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ASN . 1.1 m -86.68 109.79 19.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.66 150.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -40.62 -57.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -38.67 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HG3' ' ND2' ' A' ' 38' ' ' ASN . 13.4 mtt180 -49.16 -52.86 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE1' HD13 ' A' ' 33' ' ' LEU . 1.1 t80 -51.1 -42.05 60.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -60.01 -47.24 86.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -41.75 -52.58 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -47.68 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.48 HG23 ' CD1' ' A' ' 50' ' ' LEU . 7.0 mt -63.39 -56.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.32 -35.97 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -64.12 -69.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -57.9 -58.91 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.557 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 7.4 mp -57.74 -17.4 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 30.4 p80 50.8 53.9 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.7 m -131.46 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.31 126.5 38.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.81 -16.74 64.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.64 -16.97 62.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.78 2.88 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 93.9 mt -92.45 138.75 31.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -129.85 141.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -99.54 126.24 45.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.22 107.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 62' ' ' THR . 20.9 t80 -113.74 110.67 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 82.35 13.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.87 -9.6 70.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.569 1.168 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -95.71 127.14 41.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 66' ' ' LEU . 2.6 mp -71.09 137.59 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 HD22 ' NE ' ' A' ' 75' ' ' ARG . 3.6 mt -104.74 171.92 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.6 mmt180 -116.82 139.16 50.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -50.1 -27.02 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.66 -29.35 33.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 67' ' ' ARG . 91.4 m-20 -70.17 141.05 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.7 mp -91.68 137.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 8.8 mt -41.48 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -46.25 -56.33 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -44.08 -37.31 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 12.9 mmt180 -78.88 -36.47 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 138.94 -23.86 2.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 35.6 mt -46.2 107.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -110.32 -165.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.05 129.71 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.75 44.25 32.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -109.42 163.1 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.5 m -109.47 139.42 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.489 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -141.16 136.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.7 128.81 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.74 150.32 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.452 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 7.1 t -137.85 156.04 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.14 68.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -39.39 150.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 p -160.84 148.74 15.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -55.28 140.38 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.571 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 p -62.69 138.12 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.47 96.57 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.74 4.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t 43.64 87.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.0 p -107.06 73.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 171.08 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -109.11 165.51 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.14 149.07 7.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.84 169.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 p 61.03 116.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.05 67.79 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -170.05 126.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.96 160.43 33.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.13 -151.54 6.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 96.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HG2' ' CD ' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -170.23 167.65 4.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.408 ' CD ' ' HG2' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.0 154.69 42.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 76.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' HB3' ' ND2' ' A' ' 36' ' ' ASN . 3.4 m -48.5 176.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -67.27 136.08 54.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 33' ' ' LEU . 10.0 mm -89.62 151.54 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.4 pt -136.77 154.78 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.5 ttt180 -90.81 102.81 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.0 117.03 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 m -75.05 109.09 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -88.93 119.9 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.67 118.08 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 p -112.08 157.29 40.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.14 6.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.54 -173.13 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.44 140.22 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.07 140.55 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -101.86 126.95 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -110.52 142.58 42.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 5.4 m-85 -117.24 101.56 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.98 165.59 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -44.99 140.06 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 1.3 pt-20 -75.52 -20.16 58.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 15' ' ' SER . 0.7 OUTLIER -111.42 21.31 16.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -82.83 112.41 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.1 p-10 -37.92 148.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -47.31 -48.0 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -60.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -48.36 -53.11 18.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CE1' HD12 ' A' ' 33' ' ' LEU . 1.1 t80 -50.58 -37.06 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -68.41 -44.8 74.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -48.67 -51.0 30.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -48.42 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 50' ' ' LEU . 15.3 mt -58.9 -58.04 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -44.97 -38.78 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -57.17 -67.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' LEU . 73.6 t80 -63.15 -67.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.604 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 3.1 mp -39.78 -50.2 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 88.13 28.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.62 -172.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.28 128.4 44.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.89 -36.14 80.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.9 -16.96 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -109.56 6.88 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 68.3 mt -100.32 140.71 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.9 t -129.79 134.13 63.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.555 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -93.47 128.55 39.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.59 106.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CD2' HG23 ' A' ' 62' ' ' THR . 23.5 t80 -108.91 138.67 44.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.559 HG23 ' CD2' ' A' ' 61' ' ' PHE . 12.7 t 52.54 22.65 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.23 89.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -104.68 120.13 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.46 154.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.38 -159.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ASP . 10.9 mmt180 -143.83 137.98 28.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -21.76 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.16 -26.61 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ARG . 80.1 m-20 -78.71 145.92 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -91.18 162.97 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD1' HD21 ' A' ' 33' ' ' LEU . 11.1 mt -69.3 -70.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -56.15 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -44.36 -40.52 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 8.3 mmt180 -74.84 -47.83 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.94 -31.76 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 22.4 mt -43.08 108.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -110.42 -166.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -79.06 130.81 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 37.52 26.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -104.81 163.57 12.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -117.12 124.7 49.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 11.1 t -123.68 135.54 63.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -87.17 133.57 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.626 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.3 p -103.35 147.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 10.0 t -138.79 146.61 26.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.85 69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -41.68 142.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -50.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -118.89 125.54 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.0 p -112.77 138.61 49.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.14 159.59 8.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -44.97 -58.81 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.09 90.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 61.88 78.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.61 108.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.88 -162.52 5.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.71 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -92.44 156.28 17.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.18 108.29 0.37 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -67.21 141.58 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -87.31 111.49 21.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.11 139.78 28.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -83.98 140.21 32.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.84 165.67 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.38 40.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.2 m -96.81 139.13 33.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.54 161.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 121.94 18.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 34' ' ' ALA . 11.7 mm -81.97 148.77 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -126.37 163.46 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 15.1 ttp180 -96.3 102.77 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -106.69 117.39 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -77.0 112.26 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.5 t -89.73 119.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.99 117.79 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 p -111.75 157.42 39.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.49 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.69 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -142.37 -179.99 6.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.0 p -120.9 138.93 53.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -133.77 165.09 25.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.51 110.95 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -97.66 151.97 19.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 19.4 m-85 -130.41 103.61 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.61 165.4 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.53 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -47.56 130.9 14.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.98 -23.06 67.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -113.71 52.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -116.07 117.22 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.6 p-10 -39.18 157.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -55.49 -46.79 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -43.94 -63.46 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.0 mtt-85 -47.42 -53.09 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.438 ' CE1' HD11 ' A' ' 33' ' ' LEU . 1.1 t80 -50.16 -40.64 47.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' NZ ' ' O ' ' A' ' 57' ' ' LEU . 39.2 mttt -62.66 -48.15 80.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -41.36 -50.6 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.93 65.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.48 HG22 ' CD1' ' A' ' 50' ' ' LEU . 12.5 mt -63.39 -58.32 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -40.0 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -59.91 -70.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -57.44 -59.79 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.556 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.4 mp -56.49 -18.16 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 31.5 p80 52.35 53.6 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.91 -176.82 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.24 132.08 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.66 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -73.88 -19.27 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt-85 -108.53 18.04 21.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 58.2 mt -111.5 138.57 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.0 t -127.09 137.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.58 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.68 127.59 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.264 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.61 107.6 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CD2' HG23 ' A' ' 62' ' ' THR . 25.6 t80 -106.81 130.64 54.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 61' ' ' PHE . 13.1 t 52.73 19.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.27 -24.69 31.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -78.62 125.63 29.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.21 149.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' CD1' HD12 ' A' ' 59' ' ' LEU . 6.1 mt -118.98 -178.4 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.8 mtp180 -141.11 148.55 40.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -34.85 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.7 pt20 -89.67 38.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' ARG . 7.1 m-20 -137.14 137.92 39.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.574 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -94.84 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 1.2 mt -52.64 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -54.64 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -43.8 -50.78 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 70' ' ' ASP . 56.2 mmt-85 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 142.3 -28.45 2.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 38.4 mt -39.73 108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.08 -159.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -82.75 130.13 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.34 41.95 24.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.68 165.77 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -118.07 119.35 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.58 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 14.5 t -119.95 130.2 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -82.38 130.93 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.7 p -100.62 146.77 8.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 9.1 t -136.89 147.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t -133.95 59.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -47.59 172.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 p -168.92 -58.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.7 77.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.34 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.53 -145.34 18.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.33 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.2 p -50.12 -25.42 3.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 148.05 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 60.61 151.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.4 125.56 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -82.23 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p 58.02 159.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 t 61.97 103.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.032 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.45 -168.38 36.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.419 1.074 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -76.81 117.39 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.3 p -88.0 168.87 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.04 134.03 7.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.09 29.05 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.02 167.86 20.83 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 15' ' ' SER . 32.0 t 62.17 128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.4 m 84.95 154.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -64.15 144.84 56.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 mm -93.33 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.26 159.22 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 2.7 ttt180 -92.36 102.54 15.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.24 118.92 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.43 128.71 35.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.34 119.76 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -105.1 117.33 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 26' ' ' GLN . 6.7 p -110.4 157.51 37.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.526 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 18.1 Cg_endo -75.03 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 70.4 mt-30 -160.84 -57.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -175.41 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.45 126.68 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.94 160.94 34.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -127.42 134.65 49.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -116.02 163.07 16.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 21.5 m-85 -138.97 102.46 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.75 165.16 26.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -41.16 135.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -70.06 -16.14 63.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -116.82 40.54 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.422 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -100.03 115.46 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.5 p-10 -38.63 153.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 18.5 t -52.32 -42.93 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -47.96 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.47 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 20.9 mtt-85 -41.82 -54.69 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -49.64 -39.26 35.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 3.8 mttt -65.58 -43.85 88.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -52.17 -54.31 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -38.81 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 50' ' ' LEU . 43.2 mt -67.09 -44.75 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' HIS . 6.2 p -57.06 -41.47 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.15 -44.09 31.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 51' ' ' HIS . 59.2 t80 -91.25 -65.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 6.7 mp -46.28 -26.48 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 3.9 p80 39.97 54.05 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' HB3' ' CG1' ' A' ' 87' ' ' VAL . 1.2 m -140.17 33.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' CYS . 86.8 m-20 61.64 139.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -85.95 -20.98 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.31 -24.93 66.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -102.92 12.25 36.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 77.2 mt -100.0 142.39 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG2' ' HD2' ' A' ' 88' ' ' ARG . 48.3 t -130.19 125.83 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -83.01 127.09 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.76 106.83 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD1' HG13 ' A' ' 77' ' ' ILE . 10.0 t80 -112.94 113.07 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.6 -1.01 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.43 30.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -95.21 126.08 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.8 133.3 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 8.0 mt -94.61 -170.97 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.5 mmt180 -139.63 133.95 31.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -29.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -91.23 38.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' OD2' ' CZ ' ' A' ' 75' ' ' ARG . 1.8 m-20 -143.08 138.37 29.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.4 mp -88.97 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.458 ' N ' HG21 ' A' ' 71' ' ' ILE . 41.8 mt -48.1 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -44.6 -49.22 10.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -49.39 -45.21 45.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 17.8 mmt180 -69.37 -43.96 72.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.09 -28.67 1.0 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.567 HG13 ' CD1' ' A' ' 61' ' ' PHE . 24.5 mt -45.11 112.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 tp -117.0 -167.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 120.44 17.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.23 51.66 4.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.0 m -115.32 157.44 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -110.35 121.88 46.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 59' ' ' LEU . 12.4 t -120.24 132.22 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -86.4 129.64 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.1 p -97.97 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 13.7 t -143.15 148.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.468 ' CG2' HD21 ' A' ' 50' ' ' LEU . 25.5 t -125.52 67.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.446 ' HD2' ' CG2' ' A' ' 58' ' ' VAL . 14.9 mtp85 -41.66 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.84 151.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -68.85 121.3 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.577 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t -122.5 -57.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.04 -156.64 20.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 152.01 40.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -46.03 143.15 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.91 101.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 t -162.33 104.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 109.956 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.89 111.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.6 103.01 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.66 153.89 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.734 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -131.75 166.91 20.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.38 95.14 1.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.82 130.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 61.23 121.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.97 112.87 1.03 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -133.77 -58.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 63.39 157.65 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.153 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.66 3.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 m -77.48 -70.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.37 145.11 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 119.12 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 34' ' ' ALA . 15.1 mm -75.38 153.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 8.1 pt -136.56 153.65 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 15.4 ttp-105 -91.74 102.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.21 123.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -81.81 108.52 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 t -88.64 119.78 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 116.91 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.8 p -112.72 160.11 31.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.4 Cg_endo -75.0 47.79 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.789 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.82 -56.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.45 -177.0 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.6 p -109.7 139.38 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.64 110.35 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.67 130.89 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.28 170.22 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -139.15 100.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.47 165.49 25.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -44.99 138.63 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.2 pt-20 -76.56 -15.93 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.45 12.14 23.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -75.47 111.32 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -38.23 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG12 ' CB ' ' A' ' 59' ' ' LEU . 42.4 t -48.5 -52.67 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.59 -63.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -44.43 -55.26 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.59 -42.98 45.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -61.16 -45.21 95.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.21 -47.08 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.86 -35.73 24.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.481 HG22 ' CD1' ' A' ' 50' ' ' LEU . 8.2 mt -72.99 -44.92 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 p -56.56 -22.43 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -70.94 -57.62 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 51.6 t80 -78.85 -70.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' CD1' HG22 ' A' ' 46' ' ' ILE . 5.7 mp -42.74 -28.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 84.8 m-70 61.64 50.56 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -122.75 -166.63 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.55 121.41 44.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.19 -26.96 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -25.49 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -102.17 3.26 38.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 75.5 mt -98.1 140.74 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.6 131.23 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CB ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -91.25 128.06 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.76 118.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' O ' ' CB ' ' A' ' 62' ' ' THR . 33.4 t80 -121.85 113.63 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 80.53 1.81 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.49 45.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -99.12 118.66 36.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.46 146.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.15 176.78 4.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 22.1 mmt180 -119.84 159.34 24.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.79 -32.6 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -80.97 5.42 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 96.0 m-20 -104.8 134.15 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.536 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -88.55 138.61 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 ' N ' HG21 ' A' ' 71' ' ' ILE . 20.8 mt -43.95 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -47.85 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.99 -41.5 62.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 10.9 mmt180 -75.13 -32.23 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.49 -30.75 2.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 48.6 mt -42.98 109.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.22 -166.32 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.26 122.66 24.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.46 48.69 5.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -114.28 163.24 15.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -113.75 132.83 55.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG1' HD12 ' A' ' 59' ' ' LEU . 36.7 t -133.46 136.24 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -89.0 130.03 35.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.6 p -100.21 151.04 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.456 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 6.6 t -137.5 158.23 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.401 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 13.1 p -148.37 55.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.11 119.39 2.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 t 70.27 112.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 178.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 p -126.01 -59.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 133.02 -154.61 21.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -44.79 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t 58.01 79.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.8 t -76.64 80.56 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.71 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 110.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.77 153.66 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.57 144.22 2.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -101.82 -51.96 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 61.08 146.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.515 ' O ' ' CG1' ' A' ' 8' ' ' VAL . . . 116.41 -93.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 6.0 p 50.74 177.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.92 160.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.32 100.96 2.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 161.44 13.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.85 151.57 61.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -40.76 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB3' ' ND2' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -52.5 159.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 133.64 56.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.416 HD11 ' N ' ' A' ' 34' ' ' ALA . 6.4 mm -89.07 161.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.457 HD13 ' CB ' ' A' ' 35' ' ' GLU . 14.4 pt -138.55 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 62.9 ttp85 -117.93 102.75 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.84 125.34 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' SER . 14.9 m -82.24 109.63 16.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -86.81 120.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -102.44 117.66 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 27' ' ' ASP . 8.7 p -110.36 157.98 36.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.57 6.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 173.94 -53.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.3 t0 -143.1 179.07 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -118.24 141.45 48.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 166.19 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.09 135.32 53.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -124.58 142.19 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 56.7 m-85 -123.46 101.04 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.52 165.7 25.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -47.21 131.02 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' CB ' HD13 ' A' ' 18' ' ' ILE . 1.4 pt-20 -67.73 -21.82 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' A' ' 15' ' ' SER . 1.0 OUTLIER -103.64 25.18 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.495 ' OG ' ' CB ' ' A' ' 34' ' ' ALA . 22.0 m -88.71 111.99 22.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -37.23 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 13.8 t -46.44 -44.82 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -64.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 18.9 mtt180 -44.08 -55.24 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.52 -36.61 23.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 1.7 mttt -70.77 -43.53 68.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 39.8 mttt -47.44 -39.73 16.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -47.0 86.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 50' ' ' LEU . 17.9 mt -63.14 -54.89 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.423 ' CA ' HD13 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -53.13 -29.77 33.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.33 -66.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 19.9 t80 -60.35 -51.54 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 7.2 mp -65.67 -13.4 59.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER 39.57 53.63 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 m -115.8 -97.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.84 127.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -13.15 56.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 5.0 t70 -75.61 -25.14 56.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -109.84 19.32 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 35.5 mt -109.24 129.16 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.0 t -121.48 135.98 59.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.519 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.11 126.23 42.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -138.56 108.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 32.5 t80 -108.31 138.48 44.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 61' ' ' PHE . 13.0 t 52.35 20.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 -8.43 79.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -98.54 123.88 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.54 148.31 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 77' ' ' ILE . 25.2 mt -109.91 -159.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -152.14 140.34 20.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -48.48 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -65.6 -25.73 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' ARG . 88.1 m-20 -82.41 135.08 35.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.3 mp -87.61 164.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 14.2 mt -68.25 -70.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -44.61 -55.65 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.08 -46.54 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -65.82 -38.03 87.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.22 -31.2 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 18.7 mt -41.06 114.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -120.55 -167.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.99 119.78 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.21 3.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -112.68 147.06 37.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.7 m -103.18 111.12 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.519 ' CG1' ' CD1' ' A' ' 59' ' ' LEU . 19.8 t -113.83 130.89 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.13 130.21 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' CG2' HG21 ' A' ' 46' ' ' ILE . 4.9 p -101.51 149.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 9.0 t -138.63 147.0 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.3 t -127.69 64.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 55' ' ' ASP . 11.3 mtm105 -33.6 149.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -169.73 161.79 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 155.6 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.609 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.45 139.39 32.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.42 97.32 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 144.17 30.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m 54.83 87.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.86 82.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t 43.05 78.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.66 95.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.95 -179.35 18.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -174.85 161.99 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -139.12 161.74 36.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.74 165.81 12.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.54 116.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.3 t -172.52 122.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.8 163.72 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -135.01 137.83 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.75 166.55 11.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 172.07 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.33 161.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 123.87 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 34' ' ' ALA . 13.2 mm -80.19 158.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -140.76 155.25 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 3.8 ttm180 -92.27 102.87 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.9 127.06 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m -83.56 111.12 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' HIS . 39.6 t -90.55 120.21 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 117.73 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.7 p -110.82 156.77 40.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.38 5.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.3 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.9 -175.05 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 p -124.14 139.68 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.744 ' CE1' ' CE1' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -140.58 156.06 46.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.556 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.25 125.6 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -112.24 152.6 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 28.8 m-85 -125.1 101.85 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.526 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -136.26 164.45 28.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.526 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -41.25 137.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.71 -28.84 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -95.57 -8.88 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -53.09 119.36 4.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -45.04 155.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.415 HG12 ' CB ' ' A' ' 59' ' ' LEU . 16.2 t -54.13 -51.61 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.28 -59.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -47.89 -54.12 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.95 -42.62 48.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -59.22 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -49.46 -50.8 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -33.67 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG21 ' CG2' ' A' ' 85' ' ' VAL . 22.0 mt -74.83 -42.09 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 p -64.82 -22.75 67.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -73.94 -66.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 62.6 t80 -55.53 -73.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER 87.69 27.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.05 -166.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.37 114.5 28.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 57' ' ' LEU . . . -50.08 -41.84 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -26.55 27.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -103.04 13.83 33.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 95.4 mt -104.95 144.39 31.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.21 140.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.07 127.52 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.94 108.11 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CD1' HG13 ' A' ' 77' ' ' ILE . 31.6 t80 -109.72 109.74 20.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.17 -1.86 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.17 -19.73 13.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.85 125.03 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.45 137.73 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.96 -178.58 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.06 160.44 23.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -65.77 -47.0 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -65.9 -10.18 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -93.19 135.08 34.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -85.25 164.56 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 16.4 mt -67.8 -70.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' GLY . 28.0 p -46.18 -56.26 5.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -46.39 -35.68 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -81.46 -27.6 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 134.66 -37.02 2.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 61' ' ' PHE . 28.6 mt -40.47 112.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.27 -168.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 124.77 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.59 51.04 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.8 m -112.88 158.14 20.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -112.24 123.14 49.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 59' ' ' LEU . 21.3 t -124.18 130.01 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -81.9 130.91 35.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.405 ' CG2' HG21 ' A' ' 46' ' ' ILE . 6.1 p -102.29 149.79 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 3.0 t -142.08 153.57 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.25 67.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -40.29 159.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.2 m -110.59 169.9 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -144.15 98.28 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.618 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 89.69 8.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -168.63 95.72 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m 54.98 95.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.63 92.29 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -105.65 96.78 6.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -143.73 -58.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.01 139.85 39.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -137.88 151.47 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 110.036 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -94.47 139.09 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 64.75 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -137.46 108.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -159.13 159.77 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.51 152.4 8.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.11 167.77 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -171.8 151.14 2.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 79.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -115.57 151.26 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m 57.61 159.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 141.87 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 34' ' ' ALA . 8.1 mm -90.86 157.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.3 pt -139.77 153.5 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 18.8 ttt180 -92.41 102.57 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.24 118.68 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -75.65 110.31 9.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -89.98 120.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 117.76 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.1 p -112.6 157.94 38.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 179.47 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.85 -175.84 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 p -123.76 138.07 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -133.69 164.87 26.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -127.43 113.88 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -101.17 150.81 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.542 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 23.8 m-85 -127.95 101.59 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.71 165.66 25.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.523 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -43.62 140.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 6.0 pt-20 -77.33 -11.92 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -111.38 0.19 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -62.79 111.63 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -39.19 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' ' 43' ' ' LYS . 5.3 t -53.17 -51.78 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -39.14 -58.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -50.67 -54.14 25.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -50.37 -33.54 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 39' ' ' VAL . 5.0 mttt -72.46 -44.16 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -50.13 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -43.95 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 HG22 ' CD1' ' A' ' 50' ' ' LEU . 14.5 mt -64.39 -54.53 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 p -46.95 -34.32 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -64.06 -68.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 62.3 t80 -60.13 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' CD1' HG22 ' A' ' 46' ' ' ILE . 6.4 mp -44.59 -27.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 81.3 m-70 65.0 50.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 24.4 p -132.23 -170.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -99.46 135.54 40.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.3 -16.8 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.27 -16.15 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -111.92 4.03 17.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 87.1 mt -96.05 138.46 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' A' ' 65' ' ' ILE . 9.7 t -130.04 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD1' HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.49 129.4 44.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.92 106.91 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 33.4 t80 -111.17 109.64 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 85.09 -32.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.02 -18.89 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -87.4 117.75 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 HG23 ' CG1' ' A' ' 58' ' ' VAL . 2.7 mp -69.36 128.69 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 mt -81.06 -149.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -139.61 -92.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -172.9 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -84.85 9.94 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . 1.5 m-20 -98.2 141.99 30.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.559 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.3 mp -90.09 139.48 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 23.1 mt -52.11 -70.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 t -42.0 -46.77 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.41 -55.94 13.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 70' ' ' ASP . 46.2 mmt-85 -60.4 -38.23 83.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.91 -22.66 2.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.575 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 39.5 mt -47.69 105.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tp -108.6 -161.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.6 137.52 36.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.26 33.7 68.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -98.59 163.74 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.776 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -114.26 130.33 56.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 59' ' ' LEU . 22.5 t -131.26 129.19 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -82.65 133.49 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.6 p -103.13 153.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.461 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 6.1 t -142.59 155.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.9 t -145.57 57.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -48.48 177.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.61 172.1 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 86.99 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.02 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.17 135.28 4.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t 56.29 108.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.71 86.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.438 HD13 ' N ' ' A' ' 34' ' ' ALA . 2.7 mm -73.23 151.57 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 pt -134.43 156.18 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 16.3 ttp180 -93.49 102.82 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 HG23 ' A' ' 83' ' ' VAL . 87.3 t -103.84 116.52 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 m -75.17 110.36 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' HIS . 44.1 t -88.46 121.45 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.35 117.66 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.945 HG22 HG11 ' A' ' 85' ' ' VAL . 63.6 p -110.3 159.16 33.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 18.3 Cg_endo -74.98 68.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER 166.69 -61.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.96 -169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -128.18 144.45 51.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.327 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.3 t60 -140.53 156.95 46.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -113.47 142.16 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 15.2 m-85 -121.75 102.2 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.53 165.58 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.688 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -52.19 127.31 21.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.65 -23.82 67.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 41.7 p-10 -99.32 37.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.688 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 19.2 m -104.02 111.51 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 1.1 p-10 -39.74 149.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.861 HG12 ' HD2' ' A' ' 43' ' ' LYS . 18.7 t -43.42 -45.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -48.52 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 19.4 mtt-85 -38.61 -56.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -49.36 -42.24 41.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.861 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -60.56 -54.48 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.81 -48.32 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.93 -38.9 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.101 HG23 HD13 ' A' ' 50' ' ' LEU . 8.5 mt -72.18 -47.38 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 p -55.28 -27.9 49.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -68.64 -53.92 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HD12 ' A' ' 50' ' ' LEU . 61.6 t80 -75.77 -66.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.101 HD13 HG23 ' A' ' 46' ' ' ILE . 6.6 mp -45.68 -26.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' N ' ' C ' ' A' ' 49' ' ' TYR . 37.8 m80 64.54 32.8 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' A' ' 57' ' ' LEU . 14.1 p -106.16 -153.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.2 m-80 -117.92 128.66 55.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -67.65 -12.48 60.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -115.42 -2.85 12.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 86' ' ' VAL . 77.9 mt -84.75 142.34 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 t -130.14 133.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.713 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.86 129.11 37.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.63 109.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 24.7 t80 -115.27 113.52 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.43 1.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.6 -16.58 31.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -92.64 127.47 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.21 138.5 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.696 HD12 HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.88 -175.43 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.0 mmt180 -130.58 138.73 50.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.22 -26.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -90.88 34.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 39' ' ' VAL . 7.0 m-20 -141.54 134.26 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.5 mp -80.99 162.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.725 HD11 HD21 ' A' ' 33' ' ' LEU . 22.2 mt -69.45 -70.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -57.19 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -44.59 -42.44 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 10.8 mmt180 -71.53 -37.26 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.03 -23.79 2.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.571 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 27.0 mt -50.17 108.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.45 -165.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.38 125.03 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.51 41.96 8.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 m -105.68 164.32 12.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -116.53 123.67 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.713 HG11 ' CD1' ' A' ' 59' ' ' LEU . 22.0 t -123.02 133.22 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -85.9 131.87 34.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.945 HG11 HG22 ' A' ' 24' ' ' THR . 8.2 p -101.44 151.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.791 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.4 t -143.07 154.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.41 65.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.345 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.5 mm -86.29 160.08 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.5 176.68 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' NE ' ' OE1' ' A' ' 30' ' ' GLU . 9.7 ttt180 -107.79 102.79 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.86 120.39 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 m -85.59 108.85 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.575 HG13 ' HB ' ' A' ' 85' ' ' VAL . 18.6 t -89.23 120.63 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.83 117.8 31.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.827 HG22 HG11 ' A' ' 85' ' ' VAL . 19.9 p -109.93 159.36 32.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 62.38 5.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -49.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.32 -168.07 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -122.89 144.48 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -144.6 105.64 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 4.6 mt-10 -73.89 131.32 41.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 29' ' ' HIS . 68.1 m-85 -113.64 167.32 10.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -139.04 102.0 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.836 HD21 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.67 165.35 25.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.681 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -47.51 131.18 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -68.07 -8.3 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.77 39.04 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -102.65 116.73 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.1 p-10 -38.8 152.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.711 HG12 ' HD2' ' A' ' 43' ' ' LYS . 6.9 t -48.52 -46.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 41' ' ' ARG . 1.2 ttt180 -47.23 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ARG . 15.4 mtt180 -39.16 -57.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 59' ' ' LEU . 2.4 t80 -47.86 -44.14 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.711 ' HD2' HG12 ' A' ' 39' ' ' VAL . 14.6 mttt -61.14 -44.43 97.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -45.26 -54.21 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -40.74 52.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.807 ' CG2' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -70.75 -51.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -51.1 -21.79 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -76.63 -70.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.415 ' CD2' HD12 ' A' ' 50' ' ' LEU . 16.3 t80 -54.62 -52.53 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.807 HD22 ' CG2' ' A' ' 46' ' ' ILE . 3.8 mp -70.22 -7.62 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.6 p80 41.22 56.52 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -129.39 -174.62 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.17 129.96 43.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.02 -15.97 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.43 -15.7 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -6.1 15.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 86' ' ' VAL . 84.0 mt -86.91 142.17 28.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' HD2' ' A' ' 88' ' ' ARG . 18.8 t -130.02 139.46 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.953 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -99.28 127.6 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.56 106.92 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 62' ' ' THR . 10.2 t80 -112.18 112.81 24.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.48 -2.76 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.09 0.59 30.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.14 126.0 50.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.38 130.58 34.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.953 HD12 HD12 ' A' ' 59' ' ' LEU . 8.4 mt -94.92 -170.61 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.9 mmt180 -141.7 136.86 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -28.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -90.41 34.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.7 m-20 -142.0 138.49 31.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -86.88 158.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.836 ' CD1' HD21 ' A' ' 33' ' ' LEU . 26.3 mt -67.31 -70.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -46.49 -54.55 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -47.62 -44.98 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.422 ' NE ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 mmt180 -68.06 -42.01 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 -31.21 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 22.3 mt -46.49 110.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -112.33 -165.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.57 126.34 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.19 46.76 9.84 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 m -110.7 158.4 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -108.19 131.59 54.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 59' ' ' LEU . 11.8 t -132.94 128.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.01 134.26 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.827 HG11 HG22 ' A' ' 24' ' ' THR . 9.8 p -104.03 149.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.605 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.7 t -141.01 152.11 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.7 p -135.95 68.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD2' HG21 ' A' ' 58' ' ' VAL . 2.7 mtt85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' A' ' 34' ' ' ALA . 11.5 mm -77.73 128.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 35' ' ' GLU . 14.6 pt -105.98 164.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 ttp85 -106.88 102.58 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.84 126.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 m -79.44 109.38 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 31' ' ' PHE . 39.7 t -87.56 120.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.537 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -98.43 117.75 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.856 HG22 HG11 ' A' ' 85' ' ' VAL . 34.5 p -111.84 157.92 38.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 60.5 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 179.29 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.82 -174.42 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.44 137.89 54.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 108.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.21 137.49 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -99.57 126.84 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 22' ' ' VAL . 20.5 m-85 -107.17 153.32 22.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 19.9 m-85 -127.49 101.78 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.76 165.51 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.605 ' HA ' HD13 ' A' ' 17' ' ' ILE . . . -48.63 135.45 14.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' ILE . 17.6 pt-20 -74.01 -4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.24 29.06 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.17 123.2 38.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.1 155.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 43' ' ' LYS . 15.6 t -50.07 -47.12 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -45.88 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -42.97 -54.66 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.43 -39.19 46.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.862 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.81 -45.44 82.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -50.92 -49.71 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -34.08 17.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.08 HG23 HD13 ' A' ' 50' ' ' LEU . 11.3 mt -74.95 -43.6 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.2 p -58.63 -18.95 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -53.78 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.746 ' HD2' HD12 ' A' ' 50' ' ' LEU . 75.4 t80 -80.9 -68.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.08 HD13 HG23 ' A' ' 46' ' ' ILE . 5.9 mp -42.51 -31.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.2 m80 64.54 48.43 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.6 m -127.89 172.12 11.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.353 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.73 126.26 32.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.99 -15.01 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.21 -17.94 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -113.5 5.49 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 86' ' ' VAL . 54.3 mt -91.19 142.31 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.19 135.24 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.745 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -96.79 129.01 44.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.438 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.6 mp -137.94 114.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.793 ' O ' HG22 ' A' ' 62' ' ' THR . 35.3 t80 -116.79 137.49 52.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.29 20.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.68 77.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.2 mmmt -95.71 123.59 39.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.27 148.16 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 59' ' ' LEU . 5.4 mt -115.24 -169.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -143.36 143.38 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -31.73 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.419 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.0 pt20 -90.13 36.21 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' C ' HD12 ' A' ' 71' ' ' ILE . 12.2 m-20 -140.24 143.65 36.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -90.94 162.5 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.563 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.3 mt -75.89 -69.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -54.19 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -43.59 -55.02 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 66' ' ' LEU . 47.2 mmt-85 -61.32 -40.19 93.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.52 -29.07 1.62 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.521 HG13 ' CG ' ' A' ' 61' ' ' PHE . 40.3 mt -40.84 106.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.34 -164.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -76.84 130.93 38.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.37 42.72 33.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -104.43 163.0 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -115.6 123.04 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.745 HG11 ' CD1' ' A' ' 59' ' ' LEU . 41.0 t -124.43 136.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -89.12 131.51 35.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.571 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.856 HG11 HG22 ' A' ' 24' ' ' THR . 9.9 p -100.21 149.47 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.698 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.6 t -141.02 151.57 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.625 HG22 ' CD2' ' A' ' 57' ' ' LEU . 12.5 t -135.75 69.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.491 HD13 ' N ' ' A' ' 34' ' ' ALA . 5.6 mm -67.86 135.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 15.2 pt -117.31 157.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 ttt180 -98.79 102.64 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.9 t -102.75 119.91 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -75.02 111.7 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' HB ' ' A' ' 85' ' ' VAL . 30.3 t -91.3 120.14 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.66 117.97 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.84 HG22 HG11 ' A' ' 85' ' ' VAL . 20.0 p -110.12 158.28 35.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 61.02 5.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 176.96 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -173.93 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.33 138.86 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 136.82 32.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.641 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.88 135.4 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -115.98 163.12 16.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 17.4 m-85 -135.93 102.17 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.76 165.54 25.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.769 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -53.23 130.17 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 10.6 pt-20 -64.53 -19.15 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -107.79 40.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.769 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 16.5 m -107.79 113.3 26.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.7 p-10 -38.97 154.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.882 HG12 ' HD2' ' A' ' 43' ' ' LYS . 23.1 t -52.31 -45.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.448 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 14.9 mtt180 -44.41 -54.37 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.72 -40.27 39.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.882 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -63.95 -48.21 77.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -49.08 -50.14 38.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -37.13 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.028 HG23 HD13 ' A' ' 50' ' ' LEU . 12.3 mt -70.92 -46.63 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -56.83 -22.97 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -69.97 -51.59 31.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.628 ' HD2' HD12 ' A' ' 50' ' ' LEU . 72.0 t80 -82.08 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.028 HD13 HG23 ' A' ' 46' ' ' ILE . 5.9 mp -44.31 -27.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.4 m80 65.16 31.35 10.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.8 m -109.61 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -97.56 125.84 42.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -64.23 -13.75 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.75 -15.78 59.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.82 -4.52 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 86' ' ' VAL . 78.3 mt -82.72 140.54 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.26 131.63 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.848 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -90.47 125.69 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.38 106.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.813 ' O ' HG22 ' A' ' 62' ' ' THR . 29.6 t80 -108.01 136.03 48.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.6 t 52.62 21.91 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.99 -4.0 86.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.61 118.14 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.58 134.15 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.848 HD12 HD12 ' A' ' 59' ' ' LEU . 45.1 mt -94.83 -166.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 10.7 mmt180 -142.94 140.97 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -52.95 -36.66 60.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.86 3.85 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 39' ' ' VAL . 67.0 m-20 -113.97 135.36 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -80.45 164.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.575 ' CD1' HD21 ' A' ' 33' ' ' LEU . 3.0 mt -70.79 -68.98 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' GLY . 41.0 t -48.55 -58.03 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -43.27 -36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -78.18 -39.09 41.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 149.73 -33.0 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.656 HD11 HD11 ' A' ' 66' ' ' LEU . 37.0 mt -43.12 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.94 -167.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 127.96 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.72 45.61 16.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 m -108.4 170.1 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -117.58 132.91 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 59' ' ' LEU . 41.0 t -134.88 137.77 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -90.55 131.12 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.84 HG11 HG22 ' A' ' 24' ' ' THR . 9.8 p -101.13 152.58 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.768 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.2 t -143.1 152.17 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.4 p -136.45 68.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' VAL . 10.2 mtp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 34' ' ' ALA . 17.7 mm -85.84 156.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 35' ' ' GLU . 7.3 pt -139.71 154.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.9 ttt180 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.87 121.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -76.64 109.82 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.41 119.99 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -99.37 117.53 34.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.93 HG22 HG11 ' A' ' 85' ' ' VAL . 54.4 p -108.54 159.36 31.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.26 6.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.09 -168.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 p -128.13 140.65 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -134.96 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.71 120.66 29.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 28.1 m-85 -131.05 101.62 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 165.54 25.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.652 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.43 136.55 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 18' ' ' ILE . 9.7 pt-20 -74.75 -16.79 60.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.61 28.61 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -87.38 155.69 19.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -78.25 153.42 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 70' ' ' ASP . 7.0 t -51.74 -45.07 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -66.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 mtt-85 -45.95 -53.43 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.5 t80 -50.29 -35.84 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.833 ' HA ' HD12 ' A' ' 46' ' ' ILE . 46.2 mttt -71.17 -44.14 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.14 -48.15 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -42.61 68.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.066 HG23 HD13 ' A' ' 50' ' ' LEU . 9.0 mt -66.73 -52.67 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -51.63 -28.09 13.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.671 ' HD2' HD12 ' A' ' 50' ' ' LEU . 54.3 t80 -70.39 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.066 HD13 HG23 ' A' ' 46' ' ' ILE . 6.6 mp -50.2 -23.61 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.3 m80 59.25 51.06 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.56 ' SG ' HD21 ' A' ' 57' ' ' LEU . 8.7 p -129.49 -174.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.4 133.42 42.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -11.98 60.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.69 -18.56 58.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -111.7 2.32 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 86' ' ' VAL . 64.5 mt -92.86 137.13 32.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.619 HG21 ' HD2' ' A' ' 88' ' ' ARG . 21.4 t -130.46 136.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.815 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.63 130.28 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.5 107.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 62' ' ' THR . 30.1 t80 -111.42 109.91 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 86.0 -19.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.16 -12.82 4.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -94.62 123.03 37.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.94 142.88 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.768 HD12 HD12 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -112.82 171.16 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ASP . 8.7 mmt180 -123.74 149.22 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -43.47 -54.15 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 25.3 pt20 -54.85 -33.23 61.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.9 m-20 -71.48 134.59 46.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -90.41 164.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.618 ' CD1' HD21 ' A' ' 33' ' ' LEU . 18.8 mt -73.69 -70.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -53.86 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.054 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.23 -58.19 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.675 ' HG3' HD22 ' A' ' 66' ' ' LEU . 35.8 mmt-85 -57.22 -33.81 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 139.68 -30.34 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 61' ' ' PHE . 48.0 mt -39.85 105.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -115.77 -163.06 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.61 132.53 42.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.31 41.71 44.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -107.45 157.15 18.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -111.9 124.49 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.815 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -124.37 129.69 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -84.7 130.0 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.93 HG11 HG22 ' A' ' 24' ' ' THR . 7.0 p -101.45 151.09 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.728 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.2 t -142.75 152.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.81 71.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.619 ' HD2' HG21 ' A' ' 58' ' ' VAL . 2.5 mtp85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 34' ' ' ALA . 10.1 mm -82.34 157.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 35' ' ' GLU . 8.2 pt -135.8 -178.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.7 ttp180 -114.28 102.9 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 t -110.76 122.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -85.01 110.37 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.642 HG13 ' HB ' ' A' ' 85' ' ' VAL . 30.6 t -89.34 120.43 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.88 117.81 31.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.782 HG22 HG11 ' A' ' 85' ' ' VAL . 9.0 p -109.72 158.66 34.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.79 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.8 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -171.91 4.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.18 142.75 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.25 105.68 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -74.41 130.89 40.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -114.13 165.85 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 m-85 -139.07 101.84 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.78 165.39 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . -40.81 137.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.523 ' HB3' HG23 ' A' ' 18' ' ' ILE . 1.7 pt-20 -77.36 -20.65 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.47 27.3 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.895 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -87.59 154.1 20.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.023 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 4.2 p-10 -76.01 152.76 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 70' ' ' ASP . 4.4 t -51.53 -49.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.56 -61.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 mtt-85 -49.39 -52.54 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.88 -35.21 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' ILE . 31.2 mttt -70.23 -44.92 67.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -48.07 -49.74 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -44.27 64.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.009 HG23 HD13 ' A' ' 50' ' ' LEU . 11.3 mt -64.49 -53.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.16 -36.91 6.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -55.86 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' HD2' HD12 ' A' ' 50' ' ' LEU . 63.4 t80 -62.24 -60.18 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.009 HD13 HG23 ' A' ' 46' ' ' ILE . 7.0 mp -51.69 -21.62 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 29.1 p80 52.86 51.1 16.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.2 m -131.94 -175.67 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.18 137.98 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.77 -14.67 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -75.67 -8.23 56.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.83 -10.11 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 86' ' ' VAL . 84.1 mt -83.75 137.62 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG21 ' HD2' ' A' ' 88' ' ' ARG . 6.4 t -129.57 138.47 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -95.55 127.82 41.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.426 ' CG1' HG12 ' A' ' 65' ' ' ILE . 3.5 mp -138.13 106.46 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.788 ' O ' HG22 ' A' ' 62' ' ' THR . 20.6 t80 -107.8 134.34 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 61' ' ' PHE . 14.0 t 51.41 25.24 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.3 67.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' PHE . 4.2 mmtp -117.13 116.72 27.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' CG1' ' A' ' 60' ' ' ILE . 11.8 mt -63.43 136.06 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -116.66 171.73 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.08 151.16 47.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -55.23 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.485 ' O ' HD12 ' A' ' 71' ' ' ILE . 19.5 pt20 -52.79 -36.53 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 39' ' ' VAL . 18.1 m-20 -69.73 129.53 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.8 mp -83.91 163.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 33' ' ' LEU . 17.0 mt -68.2 -69.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.6 p -44.4 -61.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.79 -48.72 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.682 ' HG3' HD22 ' A' ' 66' ' ' LEU . 12.2 mmt180 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.74 -27.27 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 61' ' ' PHE . 32.4 mt -48.77 108.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 0.815 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.39 -165.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.5 128.71 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.41 46.41 20.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -113.74 173.79 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.7 m -127.0 132.12 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.628 HG11 ' CD1' ' A' ' 59' ' ' LEU . 3.3 t -133.38 131.91 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -81.94 134.98 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.782 HG11 HG22 ' A' ' 24' ' ' THR . 6.7 p -105.0 151.73 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.2 t -141.02 153.19 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.5 p -136.54 68.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HD2' HG21 ' A' ' 58' ' ' VAL . 8.6 mtp180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 33' ' ' LEU . 6.3 mm -84.3 155.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 35' ' ' GLU . 10.5 pt -140.65 158.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.17 102.72 14.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 42' ' ' PHE . 61.9 t -105.7 114.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 30' ' ' GLU . 19.6 m -76.97 109.58 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG13 ' HB ' ' A' ' 85' ' ' VAL . 14.9 t -89.11 121.8 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.63 117.42 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.717 HG22 HG11 ' A' ' 85' ' ' VAL . 6.2 p -111.0 159.52 32.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.95 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.38 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.87 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 p -117.82 149.67 40.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -145.23 114.4 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -84.76 133.2 34.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -121.37 166.88 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.33 101.92 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.27 165.63 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -49.65 132.43 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.8 pt-20 -69.16 -14.63 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.24 39.19 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -104.26 113.48 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.68 151.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.723 HG12 ' HD2' ' A' ' 43' ' ' LYS . 10.0 t -43.48 -45.62 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -49.95 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -40.31 -55.76 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 1.2 t80 -49.28 -43.11 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' ILE . 5.2 mttt -62.45 -46.9 86.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -41.96 -53.54 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.035 HG23 HD13 ' A' ' 50' ' ' LEU . 8.3 mt -64.53 -53.4 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 p -45.09 -36.48 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 3.2 mptt -67.43 -70.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.674 ' HD2' HD12 ' A' ' 50' ' ' LEU . 69.4 t80 -52.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.035 HD13 HG23 ' A' ' 46' ' ' ILE . 7.1 mp -50.94 -22.99 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.5 m80 61.62 50.99 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -168.66 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.83 130.34 48.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.789 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -65.83 -17.14 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.32 -27.14 66.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -100.63 -1.91 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 54' ' ' ALA . 84.7 mt -88.78 142.43 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.3 130.53 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.916 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.68 127.22 35.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.9 108.59 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 62' ' ' THR . 39.3 t80 -106.57 130.83 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.5 t 51.86 20.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.37 -24.62 31.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HD3' HG23 ' A' ' 62' ' ' THR . 10.3 mptt -78.9 124.75 28.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.58 147.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.916 HD12 HD12 ' A' ' 59' ' ' LEU . 11.1 mt -112.5 -169.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 27.3 mmt180 -146.76 139.33 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 4.3 p30 -42.08 -35.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.418 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 15.6 pt20 -87.31 40.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.1 m-20 -148.25 136.21 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.1 mp -81.95 159.12 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' HD21 ' A' ' 33' ' ' LEU . 6.3 mt -72.01 -64.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLY . 54.0 p -48.12 -57.93 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.99 -44.44 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 15.1 mmt180 -69.19 -30.32 68.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 135.86 -32.38 2.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.585 HD11 HD11 ' A' ' 66' ' ' LEU . 50.0 mt -43.01 110.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.93 -167.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -73.36 129.61 38.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.07 47.31 24.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -109.81 161.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.0 m -110.36 123.43 49.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.713 HG11 ' CD1' ' A' ' 59' ' ' LEU . 37.7 t -125.7 132.44 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.45 133.86 34.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.717 HG11 HG22 ' A' ' 24' ' ' THR . 8.3 p -102.83 149.14 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.789 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.7 t -137.29 155.2 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.7 63.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG23 ' CA ' ' A' ' 33' ' ' LEU . 12.1 mm -81.33 159.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 35' ' ' GLU . 6.2 pt -141.72 158.96 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 10.1 ttp-105 -95.05 102.81 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG13 HG23 ' A' ' 83' ' ' VAL . 98.7 t -104.6 116.79 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m -75.27 111.02 10.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 85' ' ' VAL . 41.7 t -90.73 122.68 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -101.6 117.62 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.941 HG22 HG11 ' A' ' 85' ' ' VAL . 47.7 p -108.63 158.81 33.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.53 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 172.63 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -127.03 -168.9 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.09 132.62 49.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -128.1 161.1 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.42 125.72 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -112.36 149.8 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 9.6 m-85 -125.58 101.54 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.08 165.37 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.722 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -40.52 141.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HB3' HG23 ' A' ' 18' ' ' ILE . 4.6 pt-20 -80.67 -7.55 59.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -117.48 4.37 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -66.28 113.74 4.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 3.0 p-10 -38.45 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.798 HG12 ' HD2' ' A' ' 43' ' ' LYS . 9.9 t -54.48 -43.45 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -62.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 16.2 mtt180 -47.05 -53.83 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.6 t80 -50.31 -38.43 41.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.798 ' HD2' HG12 ' A' ' 39' ' ' VAL . 2.7 mttt -66.22 -43.91 85.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.51 -48.6 78.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.25 -42.61 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.987 HG23 HD13 ' A' ' 50' ' ' LEU . 9.1 mt -65.53 -52.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -33.94 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -59.66 -70.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.717 ' HD2' HD12 ' A' ' 50' ' ' LEU . 58.4 t80 -64.4 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.987 HD13 HG23 ' A' ' 46' ' ' ILE . 6.0 mp -40.31 -29.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' A' ' 49' ' ' TYR . 32.8 m80 64.7 49.95 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 89.2 m -127.36 -172.17 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.1 123.31 44.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.728 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -63.37 -22.87 67.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.24 -19.37 65.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -111.81 3.51 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 54' ' ' ALA . 88.6 mt -90.65 138.38 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.52 ' O ' HD12 ' A' ' 60' ' ' ILE . 40.8 t -130.11 129.84 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -85.46 130.45 34.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.6 mp -137.07 107.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.818 ' O ' HG22 ' A' ' 62' ' ' THR . 30.1 t80 -109.12 130.69 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.41 21.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.82 -12.85 66.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.44 117.63 25.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.75 131.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 59' ' ' LEU . 6.9 mt -97.45 -176.89 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' CG ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -111.82 -87.69 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' CG ' ' C ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -178.77 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.29 1.65 35.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -95.75 139.95 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.5 mp -87.97 137.45 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.653 HD11 HD21 ' A' ' 33' ' ' LEU . 47.7 mt -41.55 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.72 -52.91 16.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 58.6 mt-30 -43.95 -35.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.647 ' HG3' HD22 ' A' ' 66' ' ' LEU . 6.4 mmt180 -83.39 -46.06 12.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.52 -27.33 0.96 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 61' ' ' PHE . 27.2 mt -44.23 110.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -115.8 -168.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.48 131.98 43.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.217 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.76 43.41 35.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -108.23 159.62 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.8 m -113.25 127.1 56.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.725 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -126.35 130.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.5 130.13 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.941 HG11 HG22 ' A' ' 24' ' ' THR . 9.1 p -98.9 150.01 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.72 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.2 t -142.99 153.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 57' ' ' LEU . 4.1 t -137.47 73.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HD2' HG21 ' A' ' 58' ' ' VAL . 7.1 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.3 mm -76.98 156.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 18.1 pt -135.65 164.6 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 20.6 ttp180 -99.66 102.61 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -107.75 120.84 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -79.02 109.1 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 31' ' ' PHE . 52.5 t -87.61 121.08 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.1 tptt -106.77 117.29 33.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.764 HG22 HG11 ' A' ' 85' ' ' VAL . 3.2 p -110.86 163.35 17.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.0 7.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.99 -54.9 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 -174.41 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -115.18 127.51 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -137.69 150.23 47.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -110.93 132.55 54.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' HG21 ' A' ' 22' ' ' VAL . 23.6 m-85 -115.35 148.08 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 23.6 m-85 -125.93 103.53 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -136.4 165.38 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.766 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -46.66 132.02 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.4 pt-20 -72.92 -12.96 61.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.493 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 37.5 p-10 -111.83 32.06 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -102.43 116.95 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.54 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 43' ' ' LYS . 24.9 t -51.38 -49.24 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.66 -58.51 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -49.16 -53.24 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.2 t80 -51.27 -38.88 55.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.874 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -65.0 -50.39 66.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -46.87 -51.01 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -38.96 55.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.002 HG23 HD13 ' A' ' 50' ' ' LEU . 14.0 mt -68.94 -49.61 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' HIS . 2.9 p -52.2 -40.54 61.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -47.83 -53.44 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.591 ' HD2' HD12 ' A' ' 50' ' ' LEU . 58.3 t80 -83.73 -65.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.002 HD13 HG23 ' A' ' 46' ' ' ILE . 5.6 mp -43.53 -27.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 17.5 p80 55.95 31.63 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' HG13 ' A' ' 87' ' ' VAL . 73.7 m -119.14 133.57 55.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' CYS . 6.0 m-80 -40.31 129.65 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -70.67 -23.37 62.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.4 -20.76 64.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -106.56 3.75 27.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -90.05 142.97 27.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.14 142.51 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -104.16 125.28 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -138.45 118.52 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' A' ' 77' ' ' ILE . 7.7 t80 -118.86 115.63 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 84.14 -40.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.66 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -87.49 146.5 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' LEU . 3.0 mp -89.56 152.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 59' ' ' LEU . 3.1 mt -107.2 -171.61 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.49 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -29.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.4 pt20 -92.11 40.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' C ' HD12 ' A' ' 71' ' ' ILE . 2.3 m-20 -145.22 143.2 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -90.0 161.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.775 HD11 HD21 ' A' ' 33' ' ' LEU . 23.1 mt -70.73 -70.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -56.92 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -45.63 -44.02 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HG3' HD22 ' A' ' 66' ' ' LEU . 8.3 mmt180 -68.25 -45.22 73.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.86 -28.81 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 61' ' ' PHE . 16.4 mt -49.48 110.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -113.97 -167.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.56 124.89 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.82 47.46 7.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -112.75 168.54 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -120.02 123.71 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -122.56 128.77 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -83.08 131.07 35.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.764 HG11 HG22 ' A' ' 24' ' ' THR . 7.7 p -100.73 153.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.764 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.1 t -143.06 153.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.41 HG13 ' HB3' ' A' ' 52' ' ' CYS . 16.4 t -133.44 67.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 34' ' ' ALA . 8.8 mm -77.77 146.46 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.45 HG23 ' HB3' ' A' ' 35' ' ' GLU . 12.4 pt -130.8 156.48 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 14.2 ttp-105 -94.27 102.86 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.81 119.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -75.19 113.14 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG13 ' HB ' ' A' ' 85' ' ' VAL . 42.8 t -91.42 122.54 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.676 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -99.49 118.01 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.014 HG22 HG11 ' A' ' 85' ' ' VAL . 71.1 p -112.41 156.88 41.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 68.06 5.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 169.44 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -148.83 -172.02 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.39 142.81 51.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.494 ' CE1' ' CE2' ' A' ' 49' ' ' TYR . 1.7 t-80 -141.25 158.63 43.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.98 131.79 56.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.02 145.21 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 40.9 m-85 -120.7 101.82 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.745 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.45 165.24 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.807 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -48.82 133.41 17.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HB3' HG23 ' A' ' 18' ' ' ILE . 13.5 pt-20 -68.09 -23.19 64.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.17 38.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.807 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 3.3 m -102.5 111.03 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.56 148.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 43' ' ' LYS . 12.1 t -43.57 -47.25 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -46.22 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ARG . 11.2 mtt-85 -37.97 -56.77 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -47.64 -46.96 29.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 46' ' ' ILE . 16.3 mttt -55.02 -47.7 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' CD ' ' A' ' 40' ' ' ARG . 12.3 mmtt -44.93 -51.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.72 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.024 HG23 HD13 ' A' ' 50' ' ' LEU . 12.2 mt -67.5 -50.92 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 p -48.01 -35.96 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -70.88 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.591 ' HD1' HD12 ' A' ' 50' ' ' LEU . 54.2 t80 -55.6 -63.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.024 HD13 HG23 ' A' ' 46' ' ' ILE . 7.8 mp -56.16 -24.47 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 m80 62.94 53.33 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.61 -170.08 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.98 131.63 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -70.24 -14.15 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.46 -17.16 62.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -112.88 4.69 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 54' ' ' ALA . 91.4 mt -92.42 139.62 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.13 132.34 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.814 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.66 127.77 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.96 106.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.792 ' O ' HG22 ' A' ' 62' ' ' THR . 25.9 t80 -109.16 141.2 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.2 t 52.25 23.5 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.08 -2.32 87.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -105.07 124.75 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.5 143.23 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.605 HD12 HD12 ' A' ' 59' ' ' LEU . 21.0 mt -106.03 -155.73 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mmt180 -152.14 138.18 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 69' ' ' GLN . 2.3 p30 -44.65 -47.37 10.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 8.9 pt20 -64.95 -32.02 73.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 39' ' ' VAL . 72.5 m-20 -74.24 138.02 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.8 mp -87.0 164.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 1.6 mt -69.03 -70.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -49.22 -57.89 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -43.46 -34.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -81.05 -38.03 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 146.66 -26.85 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 66' ' ' LEU . 27.7 mt -48.65 109.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.89 -165.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 131.15 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.78 47.29 40.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.971 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.4 m -112.72 127.78 56.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.814 HG11 ' CD1' ' A' ' 59' ' ' LEU . 14.9 t -129.07 131.73 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.9 129.78 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 1.014 HG11 HG22 ' A' ' 24' ' ' THR . 8.8 p -98.0 154.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.695 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.8 t -143.03 151.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 87' ' ' VAL . 8.7 p -141.19 69.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.434 HG23 ' C ' ' A' ' 33' ' ' LEU . 5.0 mm -91.42 154.56 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 13.2 pt -139.91 158.6 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 25.2 ttp180 -94.33 102.85 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.49 121.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -76.46 112.5 13.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HB ' ' A' ' 85' ' ' VAL . 33.8 t -91.23 120.31 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -99.12 117.81 34.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.849 HG22 HG11 ' A' ' 85' ' ' VAL . 23.7 p -108.16 156.96 37.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.25 4.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.45 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -168.33 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.32 142.21 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 108.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -137.54 161.02 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -124.27 120.06 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' HG21 ' A' ' 22' ' ' VAL . 17.3 m-85 -108.41 149.48 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 19' ' ' ARG . 42.0 m-85 -127.73 101.93 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -136.03 165.26 26.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.759 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.74 133.26 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.516 ' OE1' ' ND2' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -66.95 -20.99 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.516 ' ND2' ' OE1' ' A' ' 35' ' ' GLU . 5.9 m120 -115.08 47.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.438 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -106.73 118.48 36.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.8 p-10 -39.58 151.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.871 HG12 ' HD2' ' A' ' 43' ' ' LYS . 30.7 t -50.13 -44.5 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -47.38 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.531 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 6.6 mtt-85 -38.92 -56.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.58 -40.02 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.871 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.79 -52.75 55.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -43.81 -49.92 7.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.24 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.049 HG23 HD13 ' A' ' 50' ' ' LEU . 11.2 mt -73.26 -47.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 p -53.05 -27.84 21.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -68.51 -60.38 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.606 ' HD2' HD12 ' A' ' 50' ' ' LEU . 61.7 t80 -68.86 -66.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.049 HD13 HG23 ' A' ' 46' ' ' ILE . 6.5 mp -44.66 -28.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.2 m80 65.03 39.93 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.706 ' SG ' HD21 ' A' ' 57' ' ' LEU . 20.8 p -118.03 -158.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.45 135.84 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -67.68 -15.25 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -76.76 -16.21 59.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.98 -1.52 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 86' ' ' VAL . 83.5 mt -90.55 138.27 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.515 ' CG2' ' NH2' ' A' ' 88' ' ' ARG . 66.8 t -128.06 134.27 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.739 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -94.9 128.06 41.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.462 HD11 HG12 ' A' ' 58' ' ' VAL . 3.4 mp -137.69 109.54 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 62' ' ' THR . 24.6 t80 -113.05 112.17 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.96 -1.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.67 -10.2 30.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.125 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -96.55 127.46 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.55 135.31 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -100.73 -174.24 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -132.48 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -20.99 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -95.23 32.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 33.2 m-20 -141.12 144.76 35.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -90.36 161.63 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.788 HD11 HD21 ' A' ' 33' ' ' LEU . 1.2 mt -72.26 -61.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -51.55 -55.55 18.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 1.5 pt20 -48.23 -46.03 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 14.0 mmt180 -65.83 -37.2 85.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.1 -26.73 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 61' ' ' PHE . 20.8 mt -47.81 110.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.6 tp -115.17 -166.05 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 125.77 29.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.59 8.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -108.44 157.56 18.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 m -109.02 121.92 46.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.739 HG11 ' CD1' ' A' ' 59' ' ' LEU . 20.1 t -123.69 131.46 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -84.39 128.35 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.849 HG11 HG22 ' A' ' 24' ' ' THR . 6.4 p -98.68 147.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.815 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.8 t -132.73 149.88 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 87' ' ' VAL . 9.8 p -145.47 68.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.515 ' NH2' ' CG2' ' A' ' 58' ' ' VAL . 51.3 mtm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 34' ' ' ALA . 8.9 mm -85.25 153.37 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 35' ' ' GLU . 9.9 pt -136.81 158.16 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 22.7 ttp180 -88.54 102.56 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.99 116.89 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.409 ' OG ' HG23 ' A' ' 82' ' ' THR . 1.1 t -76.04 143.97 41.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 31' ' ' PHE . 40.1 t -119.37 119.83 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.66 117.94 33.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.952 HG22 HG11 ' A' ' 85' ' ' VAL . 59.1 p -110.46 158.96 33.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.08 4.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.04 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.35 -168.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.21 136.36 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 108.259 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -133.68 165.78 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.645 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.07 144.55 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' ' 22' ' ' VAL . 16.0 m-85 -132.16 140.42 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 31.6 m-85 -121.44 104.43 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.78 165.09 26.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.757 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.64 132.64 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.522 ' HB3' HG23 ' A' ' 18' ' ' ILE . 5.5 pt-20 -69.89 -13.44 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -117.69 39.28 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -104.0 114.78 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -39.35 151.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.865 HG12 ' HD2' ' A' ' 43' ' ' LYS . 15.9 t -49.23 -45.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -66.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.3 mtt85 -42.96 -54.49 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.72 -41.89 44.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -44.82 -50.06 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -44.19 32.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.128 HG23 HD13 ' A' ' 50' ' ' LEU . 14.0 mt -67.14 -50.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 p -52.8 -35.13 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -54.44 47.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.63 ' HD2' HD12 ' A' ' 50' ' ' LEU . 49.8 t80 -78.35 -69.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.128 HD13 HG23 ' A' ' 46' ' ' ILE . 6.2 mp -41.05 -32.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.405 ' N ' ' C ' ' A' ' 49' ' ' TYR . 30.2 m80 65.38 48.27 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.4 m -139.33 142.22 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.27 143.95 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -77.16 -19.16 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.59 -20.34 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -107.3 1.98 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 86' ' ' VAL . 87.4 mt -92.3 124.55 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HD12 ' A' ' 60' ' ' ILE . 24.5 t -118.46 127.83 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.81 125.42 33.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.1 mp -137.17 110.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' ILE . 5.0 t80 -119.6 117.59 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 79.31 7.58 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.92 6.54 59.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -112.52 127.12 55.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.33 125.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 59' ' ' LEU . 11.2 mt -84.98 -159.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 32.4 mmt180 -153.53 139.5 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -47.67 -41.56 22.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -70.37 -27.0 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.25 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.533 ' C ' HD12 ' A' ' 71' ' ' ILE . 39.2 m-20 -78.21 139.23 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -93.96 147.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD11 HD21 ' A' ' 33' ' ' LEU . 20.5 mt -48.01 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -57.91 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.465 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 67.7 mt-30 -40.73 -34.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -83.13 -49.93 8.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.24 -32.18 0.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.684 HD11 HD11 ' A' ' 66' ' ' LEU . 11.4 mt -43.4 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.0 OUTLIER -121.52 -165.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.94 128.42 35.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.79 52.2 9.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -120.58 155.02 34.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.409 HG23 ' OG ' ' A' ' 21' ' ' SER . 71.8 m -108.07 139.69 42.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.712 HG11 ' CD1' ' A' ' 59' ' ' LEU . 2.5 t -136.48 143.45 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.44 137.74 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.55 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.952 HG11 HG22 ' A' ' 24' ' ' THR . 7.9 p -105.31 149.91 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.868 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.3 t -133.68 154.25 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -139.68 63.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' A' ' 34' ' ' ALA . 21.2 mm -75.85 150.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 35' ' ' GLU . 12.1 pt -133.14 161.05 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' NE ' ' OE2' ' A' ' 30' ' ' GLU . 15.7 ttp-105 -99.46 103.06 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -108.73 121.3 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -79.93 108.64 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG13 ' HB ' ' A' ' 85' ' ' VAL . 19.2 t -87.38 119.81 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -98.3 117.29 32.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.76 HG22 HG11 ' A' ' 85' ' ' VAL . 6.3 p -113.44 159.92 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.2 Cg_endo -75.0 48.14 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.52 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.7 178.28 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.34 145.13 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -144.9 118.42 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.595 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.1 mt-10 -88.28 127.89 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -115.24 166.19 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -139.25 102.21 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.761 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.3 165.52 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.581 ' HA ' HD13 ' A' ' 17' ' ' ILE . . . -50.54 135.14 23.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.512 ' HB3' HG23 ' A' ' 18' ' ' ILE . 12.8 pt-20 -75.53 -4.39 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.487 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -116.12 15.89 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 m -86.68 109.79 19.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.66 150.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -40.62 -57.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -38.67 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HG3' ' ND2' ' A' ' 38' ' ' ASN . 13.4 mtt180 -49.16 -52.86 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.1 -42.05 60.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HA ' HD12 ' A' ' 46' ' ' ILE . 34.8 mttt -60.01 -47.24 86.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -41.75 -52.58 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -47.68 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.997 HG23 HD13 ' A' ' 50' ' ' LEU . 7.0 mt -63.39 -56.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.32 -35.97 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -64.12 -69.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.637 ' HD2' HD12 ' A' ' 50' ' ' LEU . 60.7 t80 -57.9 -58.91 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.997 HD13 HG23 ' A' ' 46' ' ' ILE . 7.4 mp -57.74 -17.4 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 30.4 p80 50.8 53.9 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.7 m -131.46 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.31 126.5 38.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.81 -16.74 64.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.64 -16.97 62.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.78 2.88 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 86' ' ' VAL . 93.9 mt -92.45 138.75 31.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -129.85 141.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.843 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -99.54 126.24 45.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.22 107.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' ' 62' ' ' THR . 20.9 t80 -113.74 110.67 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 62' ' ' THR . 0.5 OUTLIER 82.35 13.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.87 -9.6 70.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.569 1.168 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -95.71 127.14 41.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.09 137.59 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 59' ' ' LEU . 3.6 mt -104.74 171.92 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.6 mmt180 -116.82 139.16 50.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -50.1 -27.02 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.66 -29.35 33.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 67' ' ' ARG . 91.4 m-20 -70.17 141.05 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -91.68 137.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 33' ' ' LEU . 8.8 mt -41.48 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -46.25 -56.33 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -44.08 -37.31 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.634 ' HG3' HD22 ' A' ' 66' ' ' LEU . 12.9 mmt180 -78.88 -36.47 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 138.94 -23.86 2.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 35.6 mt -46.2 107.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -110.32 -165.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.05 129.71 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.75 44.25 32.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -109.42 163.1 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.5 m -109.47 139.42 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.843 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -141.16 136.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.7 128.81 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.76 HG11 HG22 ' A' ' 24' ' ' THR . 7.7 p -97.74 150.32 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.778 ' O ' HD23 ' A' ' 57' ' ' LEU . 7.1 t -137.85 156.04 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.3 p -139.14 68.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.499 HG23 ' CA ' ' A' ' 33' ' ' LEU . 10.0 mm -89.62 151.54 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.4 pt -136.77 154.78 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.5 ttt180 -90.81 102.81 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.404 ' CG1' HG23 ' A' ' 83' ' ' VAL . 41.6 t -106.0 117.03 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 m -75.05 109.09 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 85' ' ' VAL . 35.9 t -88.93 119.9 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.67 118.08 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.866 HG22 HG11 ' A' ' 85' ' ' VAL . 29.0 p -112.08 157.29 40.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.14 6.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.54 -173.13 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.44 140.22 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.07 140.55 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -101.86 126.95 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -110.52 142.58 42.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 5.4 m-85 -117.24 101.56 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.98 165.59 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.903 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -44.99 140.06 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 1.3 pt-20 -75.52 -20.16 58.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.42 21.31 16.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.903 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -82.83 112.41 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.1 p-10 -37.92 148.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.546 HG13 ' HG ' ' A' ' 59' ' ' LEU . 18.1 t -47.31 -48.0 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -60.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -48.36 -53.11 18.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.58 -37.06 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.716 ' HA ' HD12 ' A' ' 46' ' ' ILE . 36.0 mttt -68.41 -44.8 74.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -48.67 -51.0 30.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -48.42 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.055 HG23 HD13 ' A' ' 50' ' ' LEU . 15.3 mt -58.9 -58.04 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -44.97 -38.78 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -57.17 -67.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.419 ' HD2' HD12 ' A' ' 50' ' ' LEU . 73.6 t80 -63.15 -67.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.055 HD13 HG23 ' A' ' 46' ' ' ILE . 3.1 mp -39.78 -50.2 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 88.13 28.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 57' ' ' LEU . 7.7 p -110.62 -172.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.28 128.4 44.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -61.89 -36.14 80.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.9 -16.96 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -109.56 6.88 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 86' ' ' VAL . 68.3 mt -100.32 140.71 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG21 ' HD2' ' A' ' 88' ' ' ARG . 16.9 t -129.79 134.13 63.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.882 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -93.47 128.55 39.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.59 106.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.802 ' O ' HG22 ' A' ' 62' ' ' THR . 23.5 t80 -108.91 138.67 44.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.802 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.7 t 52.54 22.65 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.23 89.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -104.68 120.13 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.46 154.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 59' ' ' LEU . 4.9 mt -120.38 -159.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ASP . 10.9 mmt180 -143.83 137.98 28.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -21.76 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.16 -26.61 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ARG . 80.1 m-20 -78.71 145.92 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -91.18 162.97 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.566 ' CD1' HD21 ' A' ' 33' ' ' LEU . 11.1 mt -69.3 -70.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -56.15 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -44.36 -40.52 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 8.3 mmt180 -74.84 -47.83 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.94 -31.76 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 66' ' ' LEU . 22.4 mt -43.08 108.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -110.42 -166.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -79.06 130.81 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 37.52 26.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -104.81 163.57 12.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -117.12 124.7 49.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.882 HG11 ' CD1' ' A' ' 59' ' ' LEU . 11.1 t -123.68 135.54 63.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -87.17 133.57 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.626 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.866 HG11 HG22 ' A' ' 24' ' ' THR . 8.3 p -103.35 147.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.671 ' O ' HD23 ' A' ' 57' ' ' LEU . 10.0 t -138.79 146.61 26.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.7 p -129.85 69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' HD2' HG21 ' A' ' 58' ' ' VAL . 43.3 mtp180 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.533 HG23 ' C ' ' A' ' 33' ' ' LEU . 11.7 mm -81.97 148.77 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -126.37 163.46 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 15.1 ttp180 -96.3 102.77 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -106.69 117.39 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -77.0 112.26 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 85' ' ' VAL . 40.5 t -89.73 119.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -99.99 117.79 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.77 HG22 HG11 ' A' ' 85' ' ' VAL . 12.0 p -111.75 157.42 39.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.49 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.69 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -142.37 -179.99 6.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.0 p -120.9 138.93 53.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -133.77 165.09 25.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.51 110.95 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -97.66 151.97 19.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 19.4 m-85 -130.41 103.61 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.61 165.4 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.681 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -47.56 130.9 14.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.98 -23.06 67.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -113.71 52.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -116.07 117.22 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.444 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.6 p-10 -39.18 157.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG21 ' CB ' ' A' ' 66' ' ' LEU . 16.0 t -55.49 -46.79 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -43.94 -63.46 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.0 mtt-85 -47.42 -53.09 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.16 -40.64 47.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.649 ' HA ' HD12 ' A' ' 46' ' ' ILE . 39.2 mttt -62.66 -48.15 80.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -41.36 -50.6 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.93 65.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.991 HG23 HD13 ' A' ' 50' ' ' LEU . 12.5 mt -63.39 -58.32 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -40.0 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -59.91 -70.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.636 ' HD2' HD12 ' A' ' 50' ' ' LEU . 64.4 t80 -57.44 -59.79 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.991 HD13 HG23 ' A' ' 46' ' ' ILE . 7.4 mp -56.49 -18.16 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 31.5 p80 52.35 53.6 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' SG ' HG11 ' A' ' 87' ' ' VAL . 0.8 OUTLIER -132.91 -176.82 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.24 132.08 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.66 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -73.88 -19.27 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt-85 -108.53 18.04 21.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 86' ' ' VAL . 58.2 mt -111.5 138.57 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.0 t -127.09 137.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.844 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.68 127.59 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.264 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.61 107.6 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.83 ' O ' HG22 ' A' ' 62' ' ' THR . 25.6 t80 -106.81 130.64 54.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.1 t 52.73 19.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.27 -24.69 31.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HD3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -78.62 125.63 29.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.21 149.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 59' ' ' LEU . 6.1 mt -118.98 -178.4 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.8 mtp180 -141.11 148.55 40.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -34.85 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.7 pt20 -89.67 38.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.536 ' C ' HD12 ' A' ' 71' ' ' ILE . 7.1 m-20 -137.14 137.92 39.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -94.84 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 33' ' ' LEU . 1.2 mt -52.64 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -54.64 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -43.8 -50.78 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG3' HD22 ' A' ' 66' ' ' LEU . 56.2 mmt-85 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 142.3 -28.45 2.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 66' ' ' LEU . 38.4 mt -39.73 108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.08 -159.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -82.75 130.13 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.34 41.95 24.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.68 165.77 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -118.07 119.35 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.844 HG11 ' CD1' ' A' ' 59' ' ' LEU . 14.5 t -119.95 130.2 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -82.38 130.93 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.77 HG11 HG22 ' A' ' 24' ' ' THR . 8.7 p -100.62 146.77 8.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.616 ' O ' HD23 ' A' ' 57' ' ' LEU . 9.1 t -136.89 147.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.468 HG11 ' SG ' ' A' ' 52' ' ' CYS . 2.8 t -133.95 59.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.8 mm -93.33 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.26 159.22 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 2.7 ttt180 -92.36 102.54 15.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.24 118.92 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.63 ' OG ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -75.43 128.71 35.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 31' ' ' PHE . 43.1 t -108.34 119.76 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 85' ' ' VAL . 8.8 tptt -105.1 117.33 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.828 HG22 HG11 ' A' ' 85' ' ' VAL . 6.7 p -110.4 157.51 37.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.526 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 18.1 Cg_endo -75.03 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 70.4 mt-30 -160.84 -57.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -175.41 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.45 126.68 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.94 160.94 34.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -127.42 134.65 49.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 22' ' ' VAL . 7.3 m-85 -116.02 163.07 16.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 21.5 m-85 -138.97 102.46 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.75 165.16 26.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.79 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -41.16 135.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -70.06 -16.14 63.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -116.82 40.54 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -100.03 115.46 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.5 p-10 -38.63 153.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.86 HG12 ' HD2' ' A' ' 43' ' ' LYS . 18.5 t -52.32 -42.93 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -47.96 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 20.9 mtt-85 -41.82 -54.69 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 59' ' ' LEU . 2.0 t80 -49.64 -39.26 35.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.86 ' HD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mttt -65.58 -43.85 88.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -52.17 -54.31 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -38.81 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.005 HG23 HD13 ' A' ' 50' ' ' LEU . 43.2 mt -67.09 -44.75 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 6.2 p -57.06 -41.47 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.15 -44.09 31.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' HD2' HD12 ' A' ' 50' ' ' LEU . 59.2 t80 -91.25 -65.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.005 HD13 HG23 ' A' ' 46' ' ' ILE . 6.7 mp -46.28 -26.48 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 15.3 p-80 39.97 54.05 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.439 ' HB3' ' CG1' ' A' ' 87' ' ' VAL . 1.2 m -140.17 33.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' CYS . 86.8 m-20 61.64 139.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -85.95 -20.98 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.31 -24.93 66.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -102.92 12.25 36.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 54' ' ' ALA . 77.2 mt -100.0 142.39 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.818 HG21 ' HD2' ' A' ' 88' ' ' ARG . 48.3 t -130.19 125.83 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.01 127.09 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.4 mp -137.76 106.83 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.568 ' CD1' HG13 ' A' ' 77' ' ' ILE . 10.0 t80 -112.94 113.07 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.6 -1.01 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.43 30.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -95.21 126.08 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.8 133.3 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 59' ' ' LEU . 8.0 mt -94.61 -170.97 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.5 mmt180 -139.63 133.95 31.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -29.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -91.23 38.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.8 m-20 -143.08 138.37 29.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.4 mp -88.97 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD11 HD21 ' A' ' 33' ' ' LEU . 41.8 mt -48.1 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -44.6 -49.22 10.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' H ' HG22 ' A' ' 71' ' ' ILE . 19.9 mt-30 -49.39 -45.21 45.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HG3' HD22 ' A' ' 66' ' ' LEU . 17.8 mmt180 -69.37 -43.96 72.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.09 -28.67 1.0 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.568 HG13 ' CD1' ' A' ' 61' ' ' PHE . 24.5 mt -45.11 112.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.7 tp -117.0 -167.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 120.44 17.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.23 51.66 4.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.0 m -115.32 157.44 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.63 HG23 ' OG ' ' A' ' 21' ' ' SER . 93.8 m -110.35 121.88 46.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 59' ' ' LEU . 12.4 t -120.24 132.22 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -86.4 129.64 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.828 HG11 HG22 ' A' ' 24' ' ' THR . 6.1 p -97.97 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.731 ' O ' HD23 ' A' ' 57' ' ' LEU . 13.7 t -143.15 148.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 50' ' ' LEU . 25.5 t -125.52 67.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.818 ' HD2' HG21 ' A' ' 58' ' ' VAL . 14.9 mtp85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.1 mm -75.38 153.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 35' ' ' GLU . 8.1 pt -136.56 153.65 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 15.4 ttp-105 -91.74 102.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.21 123.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -81.81 108.52 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' HB ' ' A' ' 85' ' ' VAL . 25.2 t -88.64 119.78 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.5 116.91 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.617 HG22 HG11 ' A' ' 85' ' ' VAL . 3.8 p -112.72 160.11 31.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.4 Cg_endo -75.0 47.79 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.789 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.82 -56.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.45 -177.0 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.6 p -109.7 139.38 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.64 110.35 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.67 130.89 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.28 170.22 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -139.15 100.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.47 165.49 25.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.731 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -44.99 138.63 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.2 pt-20 -76.56 -15.93 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.45 12.14 23.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.731 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -75.47 111.32 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -38.23 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.903 HG12 ' HD2' ' A' ' 43' ' ' LYS . 42.4 t -48.5 -52.67 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.59 -63.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -44.43 -55.26 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.59 -42.98 45.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.903 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -61.16 -45.21 95.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.21 -47.08 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.86 -35.73 24.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.919 HG23 HD13 ' A' ' 50' ' ' LEU . 8.2 mt -72.99 -44.92 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 p -56.56 -22.43 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -70.94 -57.62 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.721 ' HD2' HD12 ' A' ' 50' ' ' LEU . 51.6 t80 -78.85 -70.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.919 HD13 HG23 ' A' ' 46' ' ' ILE . 5.7 mp -42.74 -28.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.434 ' N ' ' C ' ' A' ' 49' ' ' TYR . 34.2 m80 61.64 50.56 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -122.75 -166.63 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.55 121.41 44.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.708 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -55.19 -26.96 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -25.49 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -102.17 3.26 38.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 86' ' ' VAL . 75.5 mt -98.1 140.74 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.6 131.23 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.808 ' HG ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -91.25 128.06 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.5 mp -137.76 118.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' O ' HG22 ' A' ' 62' ' ' THR . 33.4 t80 -121.85 113.63 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 80.53 1.81 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.49 45.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -99.12 118.66 36.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.46 146.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.599 HD22 ' HG3' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -116.15 176.78 4.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 22.1 mmt180 -119.84 159.34 24.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.79 -32.6 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -80.97 5.42 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 39' ' ' VAL . 96.0 m-20 -104.8 134.15 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -88.55 138.61 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD11 HD21 ' A' ' 33' ' ' LEU . 20.8 mt -43.95 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -47.85 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 71' ' ' ILE . 25.5 mt-30 -51.99 -41.5 62.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HG3' HD22 ' A' ' 66' ' ' LEU . 10.9 mmt180 -75.13 -32.23 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.49 -30.75 2.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 48.6 mt -42.98 109.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.22 -166.32 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.26 122.66 24.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.46 48.69 5.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -114.28 163.24 15.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -113.75 132.83 55.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.735 HG11 ' CD1' ' A' ' 59' ' ' LEU . 36.7 t -133.46 136.24 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -89.0 130.03 35.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.617 HG11 HG22 ' A' ' 24' ' ' THR . 8.6 p -100.21 151.04 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.788 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.6 t -137.5 158.23 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 87' ' ' VAL . 13.1 p -148.37 55.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.488 HG23 ' C ' ' A' ' 33' ' ' LEU . 6.4 mm -89.07 161.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 pt -138.55 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 62.9 ttp85 -117.93 102.75 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 83' ' ' VAL . 48.0 t -107.84 125.34 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' SER . 14.9 m -82.24 109.63 16.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG13 ' HB ' ' A' ' 85' ' ' VAL . 43.3 t -86.81 120.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.6 tppt? -102.44 117.66 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.748 HG22 HG11 ' A' ' 85' ' ' VAL . 8.7 p -110.36 157.98 36.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.57 6.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 173.94 -53.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -143.1 179.07 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -118.24 141.45 48.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 166.19 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.09 135.32 53.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -124.58 142.19 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 56.7 m-85 -123.46 101.04 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.52 165.7 25.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.044 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -47.21 131.02 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -67.73 -21.82 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.64 25.18 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 1.044 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 22.0 m -88.71 111.99 22.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -37.23 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.878 HG12 ' HD2' ' A' ' 43' ' ' LYS . 13.8 t -46.44 -44.82 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -64.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.427 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 18.9 mtt180 -44.08 -55.24 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.52 -36.61 23.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.878 ' HD2' HG12 ' A' ' 39' ' ' VAL . 1.7 mttt -70.77 -43.53 68.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 39.8 mttt -47.44 -39.73 16.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -47.0 86.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.729 HG21 HG21 ' A' ' 85' ' ' VAL . 17.9 mt -63.14 -54.89 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -29.77 33.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.33 -66.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.653 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 19.9 t80 -60.35 -51.54 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD22 ' CG2' ' A' ' 46' ' ' ILE . 7.2 mp -65.67 -13.4 59.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.653 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 1.7 p80 39.57 53.63 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' SG ' HG11 ' A' ' 87' ' ' VAL . 1.5 m -115.8 -97.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.84 127.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -13.15 56.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 5.0 t70 -75.61 -25.14 56.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -109.84 19.32 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 86' ' ' VAL . 35.5 mt -109.24 129.16 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG12 HD11 ' A' ' 60' ' ' ILE . 29.0 t -121.48 135.98 59.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.793 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.11 126.23 42.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 58' ' ' VAL . 3.6 mp -138.56 108.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.8 ' O ' HG22 ' A' ' 62' ' ' THR . 32.5 t80 -108.31 138.48 44.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.8 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.0 t 52.35 20.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 -8.43 79.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -98.54 123.88 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.54 148.31 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD12 HD12 ' A' ' 59' ' ' LEU . 25.2 mt -109.91 -159.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -152.14 140.34 20.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -48.48 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -65.6 -25.73 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.602 ' O ' HG23 ' A' ' 39' ' ' VAL . 88.1 m-20 -82.41 135.08 35.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.3 mp -87.61 164.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 33' ' ' LEU . 14.2 mt -68.25 -70.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -44.61 -55.65 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.08 -46.54 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HG3' HD22 ' A' ' 66' ' ' LEU . 7.4 mmt180 -65.82 -38.03 87.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.22 -31.2 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 18.7 mt -41.06 114.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.4 tp -120.55 -167.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.99 119.78 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.21 3.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -112.68 147.06 37.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.7 m -103.18 111.12 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.793 HG11 ' CD1' ' A' ' 59' ' ' LEU . 19.8 t -113.83 130.89 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.13 130.21 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.748 HG11 HG22 ' A' ' 24' ' ' THR . 4.9 p -101.51 149.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.721 ' O ' HD23 ' A' ' 57' ' ' LEU . 9.0 t -138.63 147.0 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.467 HG11 ' SG ' ' A' ' 52' ' ' CYS . 7.3 t -127.69 64.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 55' ' ' ASP . 11.3 mtm105 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.521 HG23 ' CA ' ' A' ' 33' ' ' LEU . 13.2 mm -80.19 158.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -140.76 155.25 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 3.8 ttm180 -92.27 102.87 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.9 127.06 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m -83.56 111.12 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' HIS . 39.6 t -90.55 120.21 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -100.55 117.73 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.84 HG22 HG11 ' A' ' 85' ' ' VAL . 16.7 p -110.82 156.77 40.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.38 5.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.3 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.9 -175.05 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 p -124.14 139.68 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.544 ' NE2' ' CE1' ' A' ' 49' ' ' TYR . 3.4 t60 -140.58 156.06 46.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.25 125.6 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -112.24 152.6 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 28.8 m-85 -125.1 101.85 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.26 164.45 28.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . -41.25 137.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.71 -28.84 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -95.57 -8.88 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.817 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -53.09 119.36 4.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -45.04 155.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.855 HG13 ' HG ' ' A' ' 59' ' ' LEU . 16.2 t -54.13 -51.61 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.28 -59.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -47.89 -54.12 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.95 -42.62 48.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.789 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.22 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -49.46 -50.8 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.7 -33.67 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 43' ' ' LYS . 22.0 mt -74.83 -42.09 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 p -64.82 -22.75 67.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -73.94 -66.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.73 ' HD2' HD22 ' A' ' 50' ' ' LEU . 62.6 t80 -55.53 -73.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.775 HD23 HG23 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER 87.69 27.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.05 -166.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.37 114.5 28.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -50.08 -41.84 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -26.55 27.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -103.04 13.83 33.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 54' ' ' ALA . 95.4 mt -104.95 144.39 31.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG21 ' HD2' ' A' ' 88' ' ' ARG . 21.2 t -130.21 140.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.855 ' HG ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -97.07 127.52 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.94 108.11 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CD1' HG13 ' A' ' 77' ' ' ILE . 31.6 t80 -109.72 109.74 20.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.17 -1.86 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.17 -19.73 13.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.85 125.03 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.45 137.73 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -104.96 -178.58 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.06 160.44 23.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -65.77 -47.0 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -65.9 -10.18 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 39' ' ' VAL . 92.3 m-20 -93.19 135.08 34.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -85.25 164.56 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.623 HD11 HD21 ' A' ' 33' ' ' LEU . 16.4 mt -67.8 -70.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' GLY . 28.0 p -46.18 -56.26 5.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -46.39 -35.68 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' CG ' HD22 ' A' ' 66' ' ' LEU . 6.9 mmt180 -81.46 -27.6 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 134.66 -37.02 2.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 61' ' ' PHE . 28.6 mt -40.47 112.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.27 -168.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 124.77 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.59 51.04 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.8 m -112.88 158.14 20.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -112.24 123.14 49.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.3 t -124.18 130.01 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -81.9 130.91 35.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.84 HG11 HG22 ' A' ' 24' ' ' THR . 6.1 p -102.29 149.79 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.0 t -142.08 153.57 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.25 67.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.532 ' HD2' HG21 ' A' ' 58' ' ' VAL . 1.2 mtp85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.48 HG23 ' CA ' ' A' ' 33' ' ' LEU . 8.1 mm -90.86 157.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.3 pt -139.77 153.5 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 18.8 ttt180 -92.41 102.57 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.24 118.68 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -75.65 110.31 9.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.422 HG13 ' HB ' ' A' ' 85' ' ' VAL . 40.2 t -89.98 120.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.81 117.76 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.741 HG22 HG11 ' A' ' 85' ' ' VAL . 8.1 p -112.6 157.94 38.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 179.47 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.85 -175.84 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 p -123.76 138.07 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -133.69 164.87 26.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -127.43 113.88 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -101.17 150.81 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.542 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 23.8 m-85 -127.95 101.59 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.772 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.71 165.66 25.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.6 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.62 140.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 6.0 pt-20 -77.33 -11.92 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -111.38 0.19 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -62.79 111.63 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -39.19 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.764 HG12 ' HD2' ' A' ' 43' ' ' LYS . 5.3 t -53.17 -51.78 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -39.14 -58.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -50.67 -54.14 25.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -50.37 -33.54 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.764 ' HD2' HG12 ' A' ' 39' ' ' VAL . 5.0 mttt -72.46 -44.16 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -50.13 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -43.95 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.101 HG23 HD13 ' A' ' 50' ' ' LEU . 14.5 mt -64.39 -54.53 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 p -46.95 -34.32 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -64.06 -68.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.577 ' HD2' HD12 ' A' ' 50' ' ' LEU . 62.3 t80 -60.13 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.101 HD13 HG23 ' A' ' 46' ' ' ILE . 6.4 mp -44.59 -27.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 49' ' ' TYR . 32.3 m80 65.0 50.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.671 ' SG ' HD21 ' A' ' 57' ' ' LEU . 24.4 p -132.23 -170.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -99.46 135.54 40.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -68.3 -16.8 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.27 -16.15 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -111.92 4.03 17.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 86' ' ' VAL . 87.1 mt -96.05 138.46 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.7 t -130.04 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -97.49 129.4 44.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.92 106.91 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 33.4 t80 -111.17 109.64 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 85.09 -32.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.02 -18.89 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -87.4 117.75 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.36 128.69 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 59' ' ' LEU . 16.8 mt -81.06 -149.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -139.61 -92.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -172.9 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -84.85 9.94 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . 1.5 m-20 -98.2 141.99 30.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -90.09 139.48 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD11 HD21 ' A' ' 33' ' ' LEU . 23.1 mt -52.11 -70.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 t -42.0 -46.77 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 71' ' ' ILE . 3.7 mt-30 -50.41 -55.94 13.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' HD22 ' A' ' 66' ' ' LEU . 46.2 mmt-85 -60.4 -38.23 83.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.91 -22.66 2.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.575 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 39.5 mt -47.69 105.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tp -108.6 -161.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.6 137.52 36.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.26 33.7 68.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -98.59 163.74 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.776 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -114.26 130.33 56.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.726 HG11 ' CD1' ' A' ' 59' ' ' LEU . 22.5 t -131.26 129.19 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -82.65 133.49 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.741 HG11 HG22 ' A' ' 24' ' ' THR . 8.6 p -103.13 153.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.785 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.1 t -142.59 155.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG22 ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -145.57 57.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -124.18 163.45 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -149.22 169.61 20.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -172.7 16.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.98 127.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.59 166.76 19.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.45 174.65 26.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.77 104.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.1 m -79.86 109.78 14.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.43 101.07 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -110.37 -49.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -171.02 156.38 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.77 -59.8 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.57 168.12 20.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.92 113.09 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.438 HD13 ' N ' ' A' ' 34' ' ' ALA . 2.7 mm -73.23 151.57 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 pt -134.43 156.18 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 16.3 ttp180 -93.49 102.82 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 HG23 ' A' ' 83' ' ' VAL . 87.3 t -103.84 116.52 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 m -75.17 110.36 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' HIS . 44.1 t -88.46 121.45 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.35 117.66 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.945 HG22 HG11 ' A' ' 85' ' ' VAL . 63.6 p -110.3 159.16 33.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 18.3 Cg_endo -74.98 68.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER 166.69 -61.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.96 -169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -128.18 144.45 51.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.327 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.3 t60 -140.53 156.95 46.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -113.47 142.16 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 15.2 m-85 -121.75 102.2 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.53 165.58 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.688 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -52.19 127.31 21.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.65 -23.82 67.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 41.7 p-10 -99.32 37.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.688 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 19.2 m -104.02 111.51 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 1.1 p-10 -39.74 149.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.861 HG12 ' HD2' ' A' ' 43' ' ' LYS . 18.7 t -43.42 -45.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -48.52 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 19.4 mtt-85 -38.61 -56.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -49.36 -42.24 41.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.861 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -60.56 -54.48 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.81 -48.32 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.93 -38.9 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.101 HG23 HD13 ' A' ' 50' ' ' LEU . 8.5 mt -72.18 -47.38 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 p -55.28 -27.9 49.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -68.64 -53.92 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HD12 ' A' ' 50' ' ' LEU . 61.6 t80 -75.77 -66.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.101 HD13 HG23 ' A' ' 46' ' ' ILE . 6.6 mp -45.68 -26.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' N ' ' C ' ' A' ' 49' ' ' TYR . 37.8 m80 64.54 32.8 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' A' ' 57' ' ' LEU . 14.1 p -106.16 -153.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.2 m-80 -117.92 128.66 55.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -67.65 -12.48 60.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -115.42 -2.85 12.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 86' ' ' VAL . 77.9 mt -84.75 142.34 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 t -130.14 133.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.713 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.86 129.11 37.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.63 109.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 24.7 t80 -115.27 113.52 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.43 1.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.6 -16.58 31.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -92.64 127.47 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.21 138.5 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.696 HD12 HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.88 -175.43 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.0 mmt180 -130.58 138.73 50.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.22 -26.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -90.88 34.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 39' ' ' VAL . 7.0 m-20 -141.54 134.26 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.5 mp -80.99 162.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.725 HD11 HD21 ' A' ' 33' ' ' LEU . 22.2 mt -69.45 -70.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -57.19 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -44.59 -42.44 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 10.8 mmt180 -71.53 -37.26 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.03 -23.79 2.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.571 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 27.0 mt -50.17 108.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.45 -165.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.38 125.03 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.51 41.96 8.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 m -105.68 164.32 12.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -116.53 123.67 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.713 HG11 ' CD1' ' A' ' 59' ' ' LEU . 22.0 t -123.02 133.22 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -85.9 131.87 34.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.945 HG11 HG22 ' A' ' 24' ' ' THR . 8.2 p -101.44 151.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.791 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.4 t -143.07 154.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.41 65.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.86 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -157.34 116.75 3.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.86 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.634 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.6 t -179.06 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 137.95 174.65 13.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.462 1.77 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -83.36 164.98 19.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.89 106.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.81 97.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 p -170.4 133.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.71 179.82 22.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -171.25 131.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.25 160.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.62 101.33 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -114.83 129.23 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m 49.28 90.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.01 123.57 5.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.29 107.51 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.54 152.59 63.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.5 4.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.7 80.67 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -51.23 170.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 131.51 47.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.5 mm -86.29 160.08 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.5 176.68 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' NE ' ' OE1' ' A' ' 30' ' ' GLU . 9.7 ttt180 -107.79 102.79 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.86 120.39 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 m -85.59 108.85 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.575 HG13 ' HB ' ' A' ' 85' ' ' VAL . 18.6 t -89.23 120.63 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.83 117.8 31.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.827 HG22 HG11 ' A' ' 85' ' ' VAL . 19.9 p -109.93 159.36 32.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 62.38 5.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -49.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.32 -168.07 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -122.89 144.48 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -144.6 105.64 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 4.6 mt-10 -73.89 131.32 41.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 29' ' ' HIS . 68.1 m-85 -113.64 167.32 10.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -139.04 102.0 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.836 HD21 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.67 165.35 25.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.681 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -47.51 131.18 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -68.07 -8.3 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.77 39.04 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -102.65 116.73 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.1 p-10 -38.8 152.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.711 HG12 ' HD2' ' A' ' 43' ' ' LYS . 6.9 t -48.52 -46.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 41' ' ' ARG . 1.2 ttt180 -47.23 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ARG . 15.4 mtt180 -39.16 -57.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 59' ' ' LEU . 2.4 t80 -47.86 -44.14 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.711 ' HD2' HG12 ' A' ' 39' ' ' VAL . 14.6 mttt -61.14 -44.43 97.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -45.26 -54.21 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -40.74 52.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.807 ' CG2' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -70.75 -51.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -51.1 -21.79 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -76.63 -70.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.415 ' CD2' HD12 ' A' ' 50' ' ' LEU . 16.3 t80 -54.62 -52.53 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.807 HD22 ' CG2' ' A' ' 46' ' ' ILE . 3.8 mp -70.22 -7.62 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.6 p80 41.22 56.52 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -129.39 -174.62 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.17 129.96 43.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.02 -15.97 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.43 -15.7 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -6.1 15.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 86' ' ' VAL . 84.0 mt -86.91 142.17 28.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' HD2' ' A' ' 88' ' ' ARG . 18.8 t -130.02 139.46 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.953 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -99.28 127.6 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.56 106.92 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 62' ' ' THR . 10.2 t80 -112.18 112.81 24.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.48 -2.76 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.09 0.59 30.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.14 126.0 50.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.38 130.58 34.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.953 HD12 HD12 ' A' ' 59' ' ' LEU . 8.4 mt -94.92 -170.61 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.9 mmt180 -141.7 136.86 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -28.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -90.41 34.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.7 m-20 -142.0 138.49 31.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -86.88 158.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.836 ' CD1' HD21 ' A' ' 33' ' ' LEU . 26.3 mt -67.31 -70.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -46.49 -54.55 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -47.62 -44.98 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.422 ' NE ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 mmt180 -68.06 -42.01 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 -31.21 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 22.3 mt -46.49 110.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -112.33 -165.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.57 126.34 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.19 46.76 9.84 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 m -110.7 158.4 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -108.19 131.59 54.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 59' ' ' LEU . 11.8 t -132.94 128.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.01 134.26 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.827 HG11 HG22 ' A' ' 24' ' ' THR . 9.8 p -104.03 149.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.605 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.7 t -141.01 152.11 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.7 p -135.95 68.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD2' HG21 ' A' ' 58' ' ' VAL . 2.7 mtt85 -39.84 141.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -148.41 155.14 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.7 m80 69.15 161.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 t -140.88 96.69 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.21 -145.8 18.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 p -45.45 109.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -151.51 137.45 18.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.05 -58.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.2 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.97 -102.3 0.39 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 57.52 83.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 0.747 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -153.07 156.17 38.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.19 100.32 0.13 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.46 141.23 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.7 p -66.27 146.06 55.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 83.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.57 144.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.1 151.32 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.53 6.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -56.72 3.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.59 130.27 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.66 115.54 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' A' ' 34' ' ' ALA . 11.5 mm -77.73 128.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 35' ' ' GLU . 14.6 pt -105.98 164.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 ttp85 -106.88 102.58 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.84 126.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 m -79.44 109.38 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 31' ' ' PHE . 39.7 t -87.56 120.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.537 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -98.43 117.75 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.856 HG22 HG11 ' A' ' 85' ' ' VAL . 34.5 p -111.84 157.92 38.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 60.5 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 179.29 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.82 -174.42 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.44 137.89 54.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 108.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.21 137.49 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -99.57 126.84 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 22' ' ' VAL . 20.5 m-85 -107.17 153.32 22.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 19.9 m-85 -127.49 101.78 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.76 165.51 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.605 ' HA ' HD13 ' A' ' 17' ' ' ILE . . . -48.63 135.45 14.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' ILE . 17.6 pt-20 -74.01 -4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.24 29.06 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.17 123.2 38.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.1 155.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 43' ' ' LYS . 15.6 t -50.07 -47.12 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -45.88 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -42.97 -54.66 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.43 -39.19 46.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.862 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.81 -45.44 82.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -50.92 -49.71 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -34.08 17.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.08 HG23 HD13 ' A' ' 50' ' ' LEU . 11.3 mt -74.95 -43.6 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.2 p -58.63 -18.95 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -53.78 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.746 ' HD2' HD12 ' A' ' 50' ' ' LEU . 75.4 t80 -80.9 -68.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.08 HD13 HG23 ' A' ' 46' ' ' ILE . 5.9 mp -42.51 -31.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.2 m80 64.54 48.43 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.6 m -127.89 172.12 11.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.353 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.73 126.26 32.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.99 -15.01 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.21 -17.94 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -113.5 5.49 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 86' ' ' VAL . 54.3 mt -91.19 142.31 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.19 135.24 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.745 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -96.79 129.01 44.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.438 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.6 mp -137.94 114.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.793 ' O ' HG22 ' A' ' 62' ' ' THR . 35.3 t80 -116.79 137.49 52.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.29 20.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.68 77.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.2 mmmt -95.71 123.59 39.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.27 148.16 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 59' ' ' LEU . 5.4 mt -115.24 -169.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -143.36 143.38 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -31.73 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.419 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.0 pt20 -90.13 36.21 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' C ' HD12 ' A' ' 71' ' ' ILE . 12.2 m-20 -140.24 143.65 36.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -90.94 162.5 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.563 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.3 mt -75.89 -69.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -54.19 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -43.59 -55.02 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 66' ' ' LEU . 47.2 mmt-85 -61.32 -40.19 93.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.52 -29.07 1.62 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.521 HG13 ' CG ' ' A' ' 61' ' ' PHE . 40.3 mt -40.84 106.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.34 -164.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -76.84 130.93 38.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.37 42.72 33.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -104.43 163.0 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -115.6 123.04 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.745 HG11 ' CD1' ' A' ' 59' ' ' LEU . 41.0 t -124.43 136.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -89.12 131.51 35.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.571 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.856 HG11 HG22 ' A' ' 24' ' ' THR . 9.9 p -100.21 149.47 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.698 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.6 t -141.02 151.57 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.625 HG22 ' CD2' ' A' ' 57' ' ' LEU . 12.5 t -135.75 69.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.75 145.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.85 137.12 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -127.81 85.11 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.618 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.49 95.1 8.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 105.11 2.97 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 120.84 6.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 m 63.49 117.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 m 63.81 81.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -169.35 168.76 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -134.58 101.31 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.5 141.02 11.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -134.28 78.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.8 92.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -149.08 94.03 0.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 7' ' ' GLY . 7.1 m 44.89 -167.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -95.56 166.78 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.47 160.01 1.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.77 159.84 40.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 58.66 163.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 72.01 4.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.65 102.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -65.03 161.6 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 107.63 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.491 HD13 ' N ' ' A' ' 34' ' ' ALA . 5.6 mm -67.86 135.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 15.2 pt -117.31 157.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 ttt180 -98.79 102.64 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.9 t -102.75 119.91 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -75.02 111.7 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' HB ' ' A' ' 85' ' ' VAL . 30.3 t -91.3 120.14 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.66 117.97 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.84 HG22 HG11 ' A' ' 85' ' ' VAL . 20.0 p -110.12 158.28 35.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 61.02 5.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 176.96 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -173.93 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.33 138.86 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 136.82 32.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.641 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.88 135.4 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -115.98 163.12 16.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 17.4 m-85 -135.93 102.17 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.76 165.54 25.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.769 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -53.23 130.17 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 10.6 pt-20 -64.53 -19.15 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -107.79 40.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.769 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 16.5 m -107.79 113.3 26.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.7 p-10 -38.97 154.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.882 HG12 ' HD2' ' A' ' 43' ' ' LYS . 23.1 t -52.31 -45.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 14.9 mtt180 -44.41 -54.37 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.72 -40.27 39.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.882 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -63.95 -48.21 77.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -49.08 -50.14 38.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.42 -37.13 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.028 HG23 HD13 ' A' ' 50' ' ' LEU . 12.3 mt -70.92 -46.63 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -56.83 -22.97 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -69.97 -51.59 31.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.628 ' HD2' HD12 ' A' ' 50' ' ' LEU . 72.0 t80 -82.08 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.028 HD13 HG23 ' A' ' 46' ' ' ILE . 5.9 mp -44.31 -27.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.4 m80 65.16 31.35 10.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.8 m -109.61 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -97.56 125.84 42.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -64.23 -13.75 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.75 -15.78 59.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.82 -4.52 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 86' ' ' VAL . 78.3 mt -82.72 140.54 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.26 131.63 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.848 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -90.47 125.69 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.38 106.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.813 ' O ' HG22 ' A' ' 62' ' ' THR . 29.6 t80 -108.01 136.03 48.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.6 t 52.62 21.91 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.99 -4.0 86.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.61 118.14 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.58 134.15 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.848 HD12 HD12 ' A' ' 59' ' ' LEU . 45.1 mt -94.83 -166.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 10.7 mmt180 -142.94 140.97 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -52.95 -36.66 60.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.86 3.85 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 39' ' ' VAL . 67.0 m-20 -113.97 135.36 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -80.45 164.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.575 ' CD1' HD21 ' A' ' 33' ' ' LEU . 3.0 mt -70.79 -68.98 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' GLY . 41.0 t -48.55 -58.03 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -43.27 -36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -78.18 -39.09 41.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 149.73 -33.0 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.656 HD11 HD11 ' A' ' 66' ' ' LEU . 37.0 mt -43.12 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.94 -167.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 127.96 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.72 45.61 16.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 m -108.4 170.1 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -117.58 132.91 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 59' ' ' LEU . 41.0 t -134.88 137.77 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -90.55 131.12 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.84 HG11 HG22 ' A' ' 24' ' ' THR . 9.8 p -101.13 152.58 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.768 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.2 t -143.1 152.17 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.4 p -136.45 68.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' VAL . 10.2 mtp180 -38.66 131.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 173.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -141.75 121.52 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.36 149.04 37.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.1 -81.11 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.72 6.89 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.91 -58.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -120.46 115.4 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.92 107.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.16 153.94 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.11 146.99 50.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -116.55 -58.37 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.13 160.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.48 124.72 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m 40.59 56.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.3 m -110.67 162.84 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.24 151.49 15.31 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -78.72 152.7 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 58.67 156.25 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.4 p -89.93 115.9 27.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' OD1' ' A' ' 36' ' ' ASN . 0.3 OUTLIER 60.33 176.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.33 129.2 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 34' ' ' ALA . 17.7 mm -85.84 156.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 35' ' ' GLU . 7.3 pt -139.71 154.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.9 ttt180 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.87 121.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -76.64 109.82 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.41 119.99 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -99.37 117.53 34.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.93 HG22 HG11 ' A' ' 85' ' ' VAL . 54.4 p -108.54 159.36 31.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.26 6.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.09 -168.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 p -128.13 140.65 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -134.96 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.71 120.66 29.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 28.1 m-85 -131.05 101.62 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 165.54 25.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.652 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.43 136.55 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 18' ' ' ILE . 9.7 pt-20 -74.75 -16.79 60.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -113.61 28.61 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -87.38 155.69 19.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -78.25 153.42 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 70' ' ' ASP . 7.0 t -51.74 -45.07 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -66.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 mtt-85 -45.95 -53.43 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.5 t80 -50.29 -35.84 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.833 ' HA ' HD12 ' A' ' 46' ' ' ILE . 46.2 mttt -71.17 -44.14 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.14 -48.15 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -42.61 68.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.066 HG23 HD13 ' A' ' 50' ' ' LEU . 9.0 mt -66.73 -52.67 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -51.63 -28.09 13.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.671 ' HD2' HD12 ' A' ' 50' ' ' LEU . 54.3 t80 -70.39 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.066 HD13 HG23 ' A' ' 46' ' ' ILE . 6.6 mp -50.2 -23.61 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.3 m80 59.25 51.06 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.56 ' SG ' HD21 ' A' ' 57' ' ' LEU . 8.7 p -129.49 -174.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.4 133.42 42.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -11.98 60.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.69 -18.56 58.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -111.7 2.32 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 86' ' ' VAL . 64.5 mt -92.86 137.13 32.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.619 HG21 ' HD2' ' A' ' 88' ' ' ARG . 21.4 t -130.46 136.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.815 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.63 130.28 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.5 107.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 62' ' ' THR . 30.1 t80 -111.42 109.91 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 86.0 -19.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.16 -12.82 4.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -94.62 123.03 37.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.94 142.88 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.768 HD12 HD12 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -112.82 171.16 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ASP . 8.7 mmt180 -123.74 149.22 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -43.47 -54.15 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 25.3 pt20 -54.85 -33.23 61.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.9 m-20 -71.48 134.59 46.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -90.41 164.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.618 ' CD1' HD21 ' A' ' 33' ' ' LEU . 18.8 mt -73.69 -70.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -53.86 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.054 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.23 -58.19 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.675 ' HG3' HD22 ' A' ' 66' ' ' LEU . 35.8 mmt-85 -57.22 -33.81 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 139.68 -30.34 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 61' ' ' PHE . 48.0 mt -39.85 105.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -115.77 -163.06 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.61 132.53 42.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.31 41.71 44.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -107.45 157.15 18.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -111.9 124.49 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.815 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -124.37 129.69 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -84.7 130.0 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.93 HG11 HG22 ' A' ' 24' ' ' THR . 7.0 p -101.45 151.09 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.728 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.2 t -142.75 152.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.81 71.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.619 ' HD2' HG21 ' A' ' 58' ' ' VAL . 2.5 mtp85 -39.78 155.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -151.92 -55.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -160.71 66.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -68.02 118.91 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.18 -86.05 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.17 4.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.4 p -149.12 106.74 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.83 -59.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p -162.91 124.73 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.36 127.27 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.19 -137.87 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.414 1.072 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.28 143.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 0.784 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -130.82 113.29 13.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' SER . . . 164.28 -96.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t 67.47 -72.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.3 m 55.81 85.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.7 128.1 8.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 153.97 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.33 151.32 2.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -34.68 3.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 t 62.63 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' OD1' ' A' ' 36' ' ' ASN . 14.7 m -83.03 175.48 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 120.8 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 34' ' ' ALA . 10.1 mm -82.34 157.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 35' ' ' GLU . 8.2 pt -135.8 -178.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.7 ttp180 -114.28 102.9 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 t -110.76 122.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -85.01 110.37 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.642 HG13 ' HB ' ' A' ' 85' ' ' VAL . 30.6 t -89.34 120.43 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.88 117.81 31.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.782 HG22 HG11 ' A' ' 85' ' ' VAL . 9.0 p -109.72 158.66 34.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.79 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.8 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -171.91 4.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.18 142.75 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.25 105.68 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -74.41 130.89 40.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -114.13 165.85 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 m-85 -139.07 101.84 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.78 165.39 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . -40.81 137.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.523 ' HB3' HG23 ' A' ' 18' ' ' ILE . 1.7 pt-20 -77.36 -20.65 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.499 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -111.47 27.3 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.895 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -87.59 154.1 20.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.023 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 4.2 p-10 -76.01 152.76 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 70' ' ' ASP . 4.4 t -51.53 -49.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.56 -61.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 mtt-85 -49.39 -52.54 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.88 -35.21 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' ILE . 31.2 mttt -70.23 -44.92 67.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -48.07 -49.74 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -44.27 64.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.009 HG23 HD13 ' A' ' 50' ' ' LEU . 11.3 mt -64.49 -53.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.16 -36.91 6.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -55.86 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' HD2' HD12 ' A' ' 50' ' ' LEU . 63.4 t80 -62.24 -60.18 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.009 HD13 HG23 ' A' ' 46' ' ' ILE . 7.0 mp -51.69 -21.62 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 29.1 p80 52.86 51.1 16.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.2 m -131.94 -175.67 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.18 137.98 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.77 -14.67 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -75.67 -8.23 56.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.83 -10.11 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 86' ' ' VAL . 84.1 mt -83.75 137.62 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG21 ' HD2' ' A' ' 88' ' ' ARG . 6.4 t -129.57 138.47 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -95.55 127.82 41.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' CG1' HG12 ' A' ' 65' ' ' ILE . 3.5 mp -138.13 106.46 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.788 ' O ' HG22 ' A' ' 62' ' ' THR . 20.6 t80 -107.8 134.34 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 61' ' ' PHE . 14.0 t 51.41 25.24 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.3 67.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' PHE . 4.2 mmtp -117.13 116.72 27.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' CG1' ' A' ' 60' ' ' ILE . 11.8 mt -63.43 136.06 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -116.66 171.73 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.08 151.16 47.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -55.23 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.485 ' O ' HD12 ' A' ' 71' ' ' ILE . 19.5 pt20 -52.79 -36.53 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 39' ' ' VAL . 18.1 m-20 -69.73 129.53 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.8 mp -83.91 163.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 33' ' ' LEU . 17.0 mt -68.2 -69.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.6 p -44.4 -61.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.79 -48.72 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.682 ' HG3' HD22 ' A' ' 66' ' ' LEU . 12.2 mmt180 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.74 -27.27 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 61' ' ' PHE . 32.4 mt -48.77 108.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 0.815 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.39 -165.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.5 128.71 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.41 46.41 20.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -113.74 173.79 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.7 m -127.0 132.12 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG11 ' CD1' ' A' ' 59' ' ' LEU . 3.3 t -133.38 131.91 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -81.94 134.98 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.782 HG11 HG22 ' A' ' 24' ' ' THR . 6.7 p -105.0 151.73 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.2 t -141.02 153.19 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.5 p -136.54 68.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HD2' HG21 ' A' ' 58' ' ' VAL . 8.6 mtp180 -38.52 151.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 t -169.29 168.86 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.8 -65.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.3 p -160.31 144.73 14.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 158.74 155.27 7.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -59.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -117.85 -54.42 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 m 61.02 83.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -138.11 -58.6 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -141.37 105.62 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.15 164.94 21.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 59.05 168.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.21 147.9 52.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.95 102.04 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -78.58 168.87 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.8 p -175.11 113.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.25 -130.91 51.7 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -116.32 121.89 43.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -125.7 156.93 70.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.18 39.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -94.37 123.56 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m 46.11 -164.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 117.27 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 33' ' ' LEU . 6.3 mm -84.3 155.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 35' ' ' GLU . 10.5 pt -140.65 158.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.17 102.72 14.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 42' ' ' PHE . 61.9 t -105.7 114.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 30' ' ' GLU . 19.6 m -76.97 109.58 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG13 ' HB ' ' A' ' 85' ' ' VAL . 14.9 t -89.11 121.8 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.63 117.42 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.717 HG22 HG11 ' A' ' 85' ' ' VAL . 6.2 p -111.0 159.52 32.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.95 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.38 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.87 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.7 p -117.82 149.67 40.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -145.23 114.4 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -84.76 133.2 34.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -121.37 166.88 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.33 101.92 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.27 165.63 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -49.65 132.43 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.8 pt-20 -69.16 -14.63 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.24 39.19 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -104.26 113.48 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.68 151.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.723 HG12 ' HD2' ' A' ' 43' ' ' LYS . 10.0 t -43.48 -45.62 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -49.95 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -40.31 -55.76 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 1.2 t80 -49.28 -43.11 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' ILE . 5.2 mttt -62.45 -46.9 86.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -41.96 -53.54 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.035 HG23 HD13 ' A' ' 50' ' ' LEU . 8.3 mt -64.53 -53.4 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 p -45.09 -36.48 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 3.2 mptt -67.43 -70.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.674 ' HD2' HD12 ' A' ' 50' ' ' LEU . 69.4 t80 -52.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.035 HD13 HG23 ' A' ' 46' ' ' ILE . 7.1 mp -50.94 -22.99 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 42.5 m80 61.62 50.99 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -168.66 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.83 130.34 48.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.789 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -65.83 -17.14 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.32 -27.14 66.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -100.63 -1.91 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 54' ' ' ALA . 84.7 mt -88.78 142.43 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.3 130.53 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.916 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.68 127.22 35.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.9 108.59 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 62' ' ' THR . 39.3 t80 -106.57 130.83 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.5 t 51.86 20.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.37 -24.62 31.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HD3' HG23 ' A' ' 62' ' ' THR . 10.3 mptt -78.9 124.75 28.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.58 147.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.916 HD12 HD12 ' A' ' 59' ' ' LEU . 11.1 mt -112.5 -169.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 27.3 mmt180 -146.76 139.33 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 4.3 p30 -42.08 -35.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.418 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 15.6 pt20 -87.31 40.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.1 m-20 -148.25 136.21 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.1 mp -81.95 159.12 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' HD21 ' A' ' 33' ' ' LEU . 6.3 mt -72.01 -64.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLY . 54.0 p -48.12 -57.93 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.99 -44.44 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 15.1 mmt180 -69.19 -30.32 68.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 135.86 -32.38 2.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.585 HD11 HD11 ' A' ' 66' ' ' LEU . 50.0 mt -43.01 110.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.93 -167.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -73.36 129.61 38.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.07 47.31 24.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -109.81 161.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.0 m -110.36 123.43 49.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.713 HG11 ' CD1' ' A' ' 59' ' ' LEU . 37.7 t -125.7 132.44 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.45 133.86 34.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.717 HG11 HG22 ' A' ' 24' ' ' THR . 8.3 p -102.83 149.14 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.789 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.7 t -137.29 155.2 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.7 63.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -39.44 156.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.8 t -174.27 154.93 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -116.01 100.48 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.6 -63.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.19 154.64 25.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.52 5.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -98.3 127.2 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 m -69.97 164.21 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t -136.83 90.02 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 57.26 93.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.51 -167.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -162.63 -56.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -54.39 -59.83 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.06 -99.27 1.53 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.21 147.02 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.67 114.08 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.47 -172.24 13.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.97 -60.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.263 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.36 161.9 38.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 82.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -55.6 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.521 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -59.2 160.34 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 127.87 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG23 ' CA ' ' A' ' 33' ' ' LEU . 12.1 mm -81.33 159.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 35' ' ' GLU . 6.2 pt -141.72 158.96 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 10.1 ttp-105 -95.05 102.81 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG13 HG23 ' A' ' 83' ' ' VAL . 98.7 t -104.6 116.79 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m -75.27 111.02 10.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 85' ' ' VAL . 41.7 t -90.73 122.68 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -101.6 117.62 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.941 HG22 HG11 ' A' ' 85' ' ' VAL . 47.7 p -108.63 158.81 33.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.53 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 172.63 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -127.03 -168.9 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.09 132.62 49.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -128.1 161.1 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.42 125.72 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -112.36 149.8 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 9.6 m-85 -125.58 101.54 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.08 165.37 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.722 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -40.52 141.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HB3' HG23 ' A' ' 18' ' ' ILE . 4.6 pt-20 -80.67 -7.55 59.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -117.48 4.37 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -66.28 113.74 4.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 3.0 p-10 -38.45 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.798 HG12 ' HD2' ' A' ' 43' ' ' LYS . 9.9 t -54.48 -43.45 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -62.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 16.2 mtt180 -47.05 -53.83 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.6 t80 -50.31 -38.43 41.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.798 ' HD2' HG12 ' A' ' 39' ' ' VAL . 2.7 mttt -66.22 -43.91 85.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.51 -48.6 78.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.25 -42.61 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.987 HG23 HD13 ' A' ' 50' ' ' LEU . 9.1 mt -65.53 -52.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -33.94 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -59.66 -70.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.717 ' HD2' HD12 ' A' ' 50' ' ' LEU . 58.4 t80 -64.4 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.987 HD13 HG23 ' A' ' 46' ' ' ILE . 6.0 mp -40.31 -29.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' A' ' 49' ' ' TYR . 32.8 m80 64.7 49.95 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 89.2 m -127.36 -172.17 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.1 123.31 44.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.728 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -63.37 -22.87 67.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.24 -19.37 65.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -111.81 3.51 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 54' ' ' ALA . 88.6 mt -90.65 138.38 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.52 ' O ' HD12 ' A' ' 60' ' ' ILE . 40.8 t -130.11 129.84 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -85.46 130.45 34.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.6 mp -137.07 107.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.818 ' O ' HG22 ' A' ' 62' ' ' THR . 30.1 t80 -109.12 130.69 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.41 21.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.82 -12.85 66.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.44 117.63 25.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.75 131.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 59' ' ' LEU . 6.9 mt -97.45 -176.89 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' CG ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -111.82 -87.69 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' CG ' ' C ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -178.77 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.29 1.65 35.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -95.75 139.95 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.5 mp -87.97 137.45 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.653 HD11 HD21 ' A' ' 33' ' ' LEU . 47.7 mt -41.55 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.72 -52.91 16.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 58.6 mt-30 -43.95 -35.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.647 ' HG3' HD22 ' A' ' 66' ' ' LEU . 6.4 mmt180 -83.39 -46.06 12.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.52 -27.33 0.96 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 61' ' ' PHE . 27.2 mt -44.23 110.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -115.8 -168.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.48 131.98 43.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.217 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.76 43.41 35.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -108.23 159.62 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.8 m -113.25 127.1 56.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.725 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -126.35 130.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.5 130.13 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.941 HG11 HG22 ' A' ' 24' ' ' THR . 9.1 p -98.9 150.01 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.72 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.2 t -142.99 153.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 57' ' ' LEU . 4.1 t -137.47 73.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HD2' HG21 ' A' ' 58' ' ' VAL . 7.1 mtp180 -39.28 151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.02 -59.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 63.44 123.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.19 88.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.85 157.36 51.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 83.65 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 -61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -77.86 126.89 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.42 132.19 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.777 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -170.08 161.91 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.4 89.72 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -170.99 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 0.816 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -115.97 -58.42 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.44 104.82 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 9' ' ' SER . 14.0 p -55.35 -47.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.443 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 50.41 96.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.66 -67.05 0.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.51 97.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.0 153.41 17.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.27 31.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -144.83 -55.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -57.74 170.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 115.63 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.3 mm -76.98 156.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 18.1 pt -135.65 164.6 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 20.6 ttp180 -99.66 102.61 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -107.75 120.84 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -79.02 109.1 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 31' ' ' PHE . 52.5 t -87.61 121.08 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.1 tptt -106.77 117.29 33.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.764 HG22 HG11 ' A' ' 85' ' ' VAL . 3.2 p -110.86 163.35 17.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.0 7.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.99 -54.9 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 -174.41 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -115.18 127.51 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -137.69 150.23 47.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -110.93 132.55 54.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' HG21 ' A' ' 22' ' ' VAL . 23.6 m-85 -115.35 148.08 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 23.6 m-85 -125.93 103.53 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -136.4 165.38 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.766 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -46.66 132.02 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.4 pt-20 -72.92 -12.96 61.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.493 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 37.5 p-10 -111.83 32.06 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -102.43 116.95 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.54 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 43' ' ' LYS . 24.9 t -51.38 -49.24 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.66 -58.51 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -49.16 -53.24 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.2 t80 -51.27 -38.88 55.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.874 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -65.0 -50.39 66.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -46.87 -51.01 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -38.96 55.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.002 HG23 HD13 ' A' ' 50' ' ' LEU . 14.0 mt -68.94 -49.61 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' HIS . 2.9 p -52.2 -40.54 61.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -47.83 -53.44 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.591 ' HD2' HD12 ' A' ' 50' ' ' LEU . 58.3 t80 -83.73 -65.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.002 HD13 HG23 ' A' ' 46' ' ' ILE . 5.6 mp -43.53 -27.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 17.5 p80 55.95 31.63 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' HG13 ' A' ' 87' ' ' VAL . 73.7 m -119.14 133.57 55.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' CYS . 6.0 m-80 -40.31 129.65 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -70.67 -23.37 62.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.4 -20.76 64.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -106.56 3.75 27.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -90.05 142.97 27.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.14 142.51 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -104.16 125.28 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -138.45 118.52 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' A' ' 77' ' ' ILE . 7.7 t80 -118.86 115.63 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 84.14 -40.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.66 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -87.49 146.5 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' LEU . 3.0 mp -89.56 152.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 59' ' ' LEU . 3.1 mt -107.2 -171.61 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.49 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -29.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.4 pt20 -92.11 40.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' C ' HD12 ' A' ' 71' ' ' ILE . 2.3 m-20 -145.22 143.2 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 mp -90.0 161.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.775 HD11 HD21 ' A' ' 33' ' ' LEU . 23.1 mt -70.73 -70.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -56.92 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -45.63 -44.02 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HG3' HD22 ' A' ' 66' ' ' LEU . 8.3 mmt180 -68.25 -45.22 73.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.86 -28.81 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 61' ' ' PHE . 16.4 mt -49.48 110.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -113.97 -167.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.56 124.89 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.82 47.46 7.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -112.75 168.54 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -120.02 123.71 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -122.56 128.77 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -83.08 131.07 35.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.764 HG11 HG22 ' A' ' 24' ' ' THR . 7.7 p -100.73 153.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.764 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.1 t -143.06 153.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.41 HG13 ' HB3' ' A' ' 52' ' ' CYS . 16.4 t -133.44 67.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -38.96 155.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.4 t -160.72 152.63 19.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -163.43 107.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.71 81.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -147.23 97.26 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 m -121.46 -59.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.63 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -74.77 111.71 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.18 118.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.94 122.02 7.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 p -83.33 -57.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.039 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -124.15 147.51 47.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.27 80.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -101.05 137.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.28 161.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 -172.9 48.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.8 mtt180 -84.72 -56.32 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.77 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.4 pt-20 54.5 159.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.33 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -86.24 134.61 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -53.73 172.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 119.82 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 34' ' ' ALA . 8.8 mm -77.77 146.46 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.45 HG23 ' HB3' ' A' ' 35' ' ' GLU . 12.4 pt -130.8 156.48 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 14.2 ttp-105 -94.27 102.86 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.81 119.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -75.19 113.14 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG13 ' HB ' ' A' ' 85' ' ' VAL . 42.8 t -91.42 122.54 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -99.49 118.01 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.014 HG22 HG11 ' A' ' 85' ' ' VAL . 71.1 p -112.41 156.88 41.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 68.06 5.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 169.44 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -148.83 -172.02 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.39 142.81 51.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.494 ' CE1' ' CE2' ' A' ' 49' ' ' TYR . 1.7 t-80 -141.25 158.63 43.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.98 131.79 56.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.02 145.21 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 40.9 m-85 -120.7 101.82 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.745 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.45 165.24 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.807 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -48.82 133.41 17.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HB3' HG23 ' A' ' 18' ' ' ILE . 13.5 pt-20 -68.09 -23.19 64.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.17 38.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.807 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 3.3 m -102.5 111.03 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.56 148.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 43' ' ' LYS . 12.1 t -43.57 -47.25 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -46.22 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ARG . 11.2 mtt-85 -37.97 -56.77 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -47.64 -46.96 29.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 46' ' ' ILE . 16.3 mttt -55.02 -47.7 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' CD ' ' A' ' 40' ' ' ARG . 12.3 mmtt -44.93 -51.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.72 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.024 HG23 HD13 ' A' ' 50' ' ' LEU . 12.2 mt -67.5 -50.92 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 p -48.01 -35.96 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -70.88 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.591 ' HD1' HD12 ' A' ' 50' ' ' LEU . 54.2 t80 -55.6 -63.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.024 HD13 HG23 ' A' ' 46' ' ' ILE . 7.8 mp -56.16 -24.47 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 m80 62.94 53.33 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.61 -170.08 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.98 131.63 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -70.24 -14.15 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.46 -17.16 62.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -112.88 4.69 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 54' ' ' ALA . 91.4 mt -92.42 139.62 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.13 132.34 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.814 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.66 127.77 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.96 106.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.792 ' O ' HG22 ' A' ' 62' ' ' THR . 25.9 t80 -109.16 141.2 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.2 t 52.25 23.5 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.08 -2.32 87.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -105.07 124.75 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.5 143.23 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.605 HD12 HD12 ' A' ' 59' ' ' LEU . 21.0 mt -106.03 -155.73 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mmt180 -152.14 138.18 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 69' ' ' GLN . 2.3 p30 -44.65 -47.37 10.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 8.9 pt20 -64.95 -32.02 73.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 39' ' ' VAL . 72.5 m-20 -74.24 138.02 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.8 mp -87.0 164.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 1.6 mt -69.03 -70.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -49.22 -57.89 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -43.46 -34.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -81.05 -38.03 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 146.66 -26.85 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 66' ' ' LEU . 27.7 mt -48.65 109.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.89 -165.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 131.15 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.78 47.29 40.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.971 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.4 m -112.72 127.78 56.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.814 HG11 ' CD1' ' A' ' 59' ' ' LEU . 14.9 t -129.07 131.73 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.9 129.78 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 1.014 HG11 HG22 ' A' ' 24' ' ' THR . 8.8 p -98.0 154.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.695 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.8 t -143.03 151.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 87' ' ' VAL . 8.7 p -141.19 69.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -39.65 138.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.8 p -179.76 94.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m80 61.76 168.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -138.98 95.12 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.69 -146.08 18.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.2 p -135.28 80.89 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 t 63.46 92.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -143.04 77.29 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -45.5 -61.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.47 86.24 1.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -174.36 141.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -155.63 -56.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.7 -145.6 12.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.419 1.074 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -130.39 169.09 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 p -157.98 82.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.971 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.69 77.17 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -171.99 131.12 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 61.64 159.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -43.82 -52.04 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.506 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 59.9 m -157.17 163.98 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 139.91 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.434 HG23 ' C ' ' A' ' 33' ' ' LEU . 5.0 mm -91.42 154.56 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 13.2 pt -139.91 158.6 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 25.2 ttp180 -94.33 102.85 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.49 121.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -76.46 112.5 13.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HB ' ' A' ' 85' ' ' VAL . 33.8 t -91.23 120.31 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -99.12 117.81 34.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.849 HG22 HG11 ' A' ' 85' ' ' VAL . 23.7 p -108.16 156.96 37.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.25 4.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.45 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -168.33 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.32 142.21 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 108.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -137.54 161.02 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -124.27 120.06 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' HG21 ' A' ' 22' ' ' VAL . 17.3 m-85 -108.41 149.48 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 19' ' ' ARG . 42.0 m-85 -127.73 101.93 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -136.03 165.26 26.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.759 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.74 133.26 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.516 ' OE1' ' ND2' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -66.95 -20.99 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.516 ' ND2' ' OE1' ' A' ' 35' ' ' GLU . 5.9 m120 -115.08 47.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.438 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -106.73 118.48 36.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.8 p-10 -39.58 151.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.871 HG12 ' HD2' ' A' ' 43' ' ' LYS . 30.7 t -50.13 -44.5 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -47.38 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.531 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 6.6 mtt-85 -38.92 -56.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.58 -40.02 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.871 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.79 -52.75 55.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -43.81 -49.92 7.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.24 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.049 HG23 HD13 ' A' ' 50' ' ' LEU . 11.2 mt -73.26 -47.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 p -53.05 -27.84 21.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -68.51 -60.38 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.606 ' HD2' HD12 ' A' ' 50' ' ' LEU . 61.7 t80 -68.86 -66.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.049 HD13 HG23 ' A' ' 46' ' ' ILE . 6.5 mp -44.66 -28.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.2 m80 65.03 39.93 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.706 ' SG ' HD21 ' A' ' 57' ' ' LEU . 20.8 p -118.03 -158.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.45 135.84 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -67.68 -15.25 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -76.76 -16.21 59.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.98 -1.52 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 86' ' ' VAL . 83.5 mt -90.55 138.27 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.515 ' CG2' ' NH2' ' A' ' 88' ' ' ARG . 66.8 t -128.06 134.27 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.739 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -94.9 128.06 41.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.462 HD11 HG12 ' A' ' 58' ' ' VAL . 3.4 mp -137.69 109.54 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 62' ' ' THR . 24.6 t80 -113.05 112.17 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.96 -1.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.67 -10.2 30.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.125 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -96.55 127.46 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.55 135.31 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -100.73 -174.24 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -132.48 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -20.99 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -95.23 32.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 33.2 m-20 -141.12 144.76 35.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -90.36 161.63 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.788 HD11 HD21 ' A' ' 33' ' ' LEU . 1.2 mt -72.26 -61.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -51.55 -55.55 18.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 1.5 pt20 -48.23 -46.03 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 14.0 mmt180 -65.83 -37.2 85.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.1 -26.73 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 61' ' ' PHE . 20.8 mt -47.81 110.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.6 tp -115.17 -166.05 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 125.77 29.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.59 8.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -108.44 157.56 18.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 m -109.02 121.92 46.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.739 HG11 ' CD1' ' A' ' 59' ' ' LEU . 20.1 t -123.69 131.46 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -84.39 128.35 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.849 HG11 HG22 ' A' ' 24' ' ' THR . 6.4 p -98.68 147.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.815 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.8 t -132.73 149.88 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 87' ' ' VAL . 9.8 p -145.47 68.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.515 ' NH2' ' CG2' ' A' ' 58' ' ' VAL . 51.3 mtm180 -45.66 -24.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.409 ' HB3' HG22 ' A' ' 87' ' ' VAL . 47.2 t -51.22 93.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' ARG . 62.5 m170 65.73 81.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -158.64 143.74 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.52 157.06 32.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 67.31 5.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.0 p -134.47 92.53 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -61.92 170.11 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p -159.86 80.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.99 164.72 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.86 -113.74 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -167.56 101.08 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -171.79 109.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.744 ' O ' HG12 ' A' ' 8' ' ' VAL . . . -63.2 -125.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 7' ' ' GLY . 6.1 p 50.98 177.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.687 ' H ' HG22 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 62.81 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.35 -107.59 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -151.59 96.17 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -147.48 160.39 39.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 82.79 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -109.51 -62.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -150.07 -175.89 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 123.66 25.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 34' ' ' ALA . 8.9 mm -85.25 153.37 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 35' ' ' GLU . 9.9 pt -136.81 158.16 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 22.7 ttp180 -88.54 102.56 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.99 116.89 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.409 ' OG ' HG23 ' A' ' 82' ' ' THR . 1.1 t -76.04 143.97 41.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 31' ' ' PHE . 40.1 t -119.37 119.83 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.66 117.94 33.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.952 HG22 HG11 ' A' ' 85' ' ' VAL . 59.1 p -110.46 158.96 33.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.08 4.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.04 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.35 -168.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.21 136.36 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 108.259 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -133.68 165.78 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.645 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.07 144.55 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' ' 22' ' ' VAL . 16.0 m-85 -132.16 140.42 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 31.6 m-85 -121.44 104.43 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.78 165.09 26.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.757 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.64 132.64 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.522 ' HB3' HG23 ' A' ' 18' ' ' ILE . 5.5 pt-20 -69.89 -13.44 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -117.69 39.28 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -104.0 114.78 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -39.35 151.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.865 HG12 ' HD2' ' A' ' 43' ' ' LYS . 15.9 t -49.23 -45.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -66.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.3 mtt85 -42.96 -54.49 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.72 -41.89 44.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -44.82 -50.06 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -44.19 32.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.128 HG23 HD13 ' A' ' 50' ' ' LEU . 14.0 mt -67.14 -50.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 p -52.8 -35.13 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -54.44 47.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.63 ' HD2' HD12 ' A' ' 50' ' ' LEU . 49.8 t80 -78.35 -69.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.128 HD13 HG23 ' A' ' 46' ' ' ILE . 6.2 mp -41.05 -32.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.405 ' N ' ' C ' ' A' ' 49' ' ' TYR . 30.2 m80 65.38 48.27 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.4 m -139.33 142.22 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.27 143.95 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -77.16 -19.16 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.59 -20.34 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -107.3 1.98 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 86' ' ' VAL . 87.4 mt -92.3 124.55 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HD12 ' A' ' 60' ' ' ILE . 24.5 t -118.46 127.83 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.81 125.42 33.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.1 mp -137.17 110.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' ILE . 5.0 t80 -119.6 117.59 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 79.31 7.58 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.92 6.54 59.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -112.52 127.12 55.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.33 125.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 59' ' ' LEU . 11.2 mt -84.98 -159.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 32.4 mmt180 -153.53 139.5 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -47.67 -41.56 22.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -70.37 -27.0 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.25 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.533 ' C ' HD12 ' A' ' 71' ' ' ILE . 39.2 m-20 -78.21 139.23 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -93.96 147.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.625 HD11 HD21 ' A' ' 33' ' ' LEU . 20.5 mt -48.01 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -57.91 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.465 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 67.7 mt-30 -40.73 -34.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -83.13 -49.93 8.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.24 -32.18 0.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.684 HD11 HD11 ' A' ' 66' ' ' LEU . 11.4 mt -43.4 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.0 OUTLIER -121.52 -165.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.94 128.42 35.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.79 52.2 9.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -120.58 155.02 34.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.409 HG23 ' OG ' ' A' ' 21' ' ' SER . 71.8 m -108.07 139.69 42.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.712 HG11 ' CD1' ' A' ' 59' ' ' LEU . 2.5 t -136.48 143.45 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.44 137.74 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.55 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.952 HG11 HG22 ' A' ' 24' ' ' THR . 7.9 p -105.31 149.91 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.868 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.3 t -133.68 154.25 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -139.68 63.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -39.04 158.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -177.02 128.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -144.51 146.73 32.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.0 m 57.07 168.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.91 123.7 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.02 26.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.46 167.13 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 m 63.7 130.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.43 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.18 158.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.31 100.97 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 160.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -130.86 153.89 48.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.55 59.86 7.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.41 136.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.55 86.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.07 -82.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.75 163.42 30.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.21 151.79 38.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 102.31 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.4 p -65.56 104.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 176.31 8.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 109.65 21.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' A' ' 34' ' ' ALA . 21.2 mm -75.85 150.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 35' ' ' GLU . 12.1 pt -133.14 161.05 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' NE ' ' OE2' ' A' ' 30' ' ' GLU . 15.7 ttp-105 -99.46 103.06 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -108.73 121.3 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -79.93 108.64 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG13 ' HB ' ' A' ' 85' ' ' VAL . 19.2 t -87.38 119.81 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -98.3 117.29 32.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.76 HG22 HG11 ' A' ' 85' ' ' VAL . 6.3 p -113.44 159.92 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.2 Cg_endo -75.0 48.14 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.52 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.7 178.28 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.34 145.13 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -144.9 118.42 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.595 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.1 mt-10 -88.28 127.89 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -115.24 166.19 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -139.25 102.21 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.761 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.3 165.52 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.581 ' HA ' HD13 ' A' ' 17' ' ' ILE . . . -50.54 135.14 23.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.512 ' HB3' HG23 ' A' ' 18' ' ' ILE . 12.8 pt-20 -75.53 -4.39 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.487 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -116.12 15.89 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 m -86.68 109.79 19.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.66 150.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -40.62 -57.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -38.67 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HG3' ' ND2' ' A' ' 38' ' ' ASN . 13.4 mtt180 -49.16 -52.86 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.1 -42.05 60.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HA ' HD12 ' A' ' 46' ' ' ILE . 34.8 mttt -60.01 -47.24 86.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -41.75 -52.58 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -47.68 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.997 HG23 HD13 ' A' ' 50' ' ' LEU . 7.0 mt -63.39 -56.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.32 -35.97 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -64.12 -69.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.637 ' HD2' HD12 ' A' ' 50' ' ' LEU . 60.7 t80 -57.9 -58.91 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.997 HD13 HG23 ' A' ' 46' ' ' ILE . 7.4 mp -57.74 -17.4 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 30.4 p80 50.8 53.9 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.7 m -131.46 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.31 126.5 38.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.81 -16.74 64.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.64 -16.97 62.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.78 2.88 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 86' ' ' VAL . 93.9 mt -92.45 138.75 31.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -129.85 141.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.843 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -99.54 126.24 45.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.22 107.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' ' 62' ' ' THR . 20.9 t80 -113.74 110.67 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 62' ' ' THR . 0.5 OUTLIER 82.35 13.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.87 -9.6 70.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.569 1.168 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -95.71 127.14 41.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.09 137.59 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 59' ' ' LEU . 3.6 mt -104.74 171.92 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.6 mmt180 -116.82 139.16 50.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -50.1 -27.02 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.66 -29.35 33.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 67' ' ' ARG . 91.4 m-20 -70.17 141.05 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -91.68 137.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 33' ' ' LEU . 8.8 mt -41.48 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -46.25 -56.33 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -44.08 -37.31 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.634 ' HG3' HD22 ' A' ' 66' ' ' LEU . 12.9 mmt180 -78.88 -36.47 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 138.94 -23.86 2.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 35.6 mt -46.2 107.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -110.32 -165.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.05 129.71 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.75 44.25 32.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -109.42 163.1 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.5 m -109.47 139.42 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.843 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -141.16 136.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.7 128.81 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.76 HG11 HG22 ' A' ' 24' ' ' THR . 7.7 p -97.74 150.32 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.778 ' O ' HD23 ' A' ' 57' ' ' LEU . 7.1 t -137.85 156.04 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.3 p -139.14 68.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -39.39 150.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 p -160.84 148.74 15.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -55.28 140.38 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.571 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 p -62.69 138.12 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.47 96.57 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.74 4.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t 43.64 87.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.0 p -107.06 73.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 171.08 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -109.11 165.51 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.14 149.07 7.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.84 169.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 p 61.03 116.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.05 67.79 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -170.05 126.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.96 160.43 33.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.13 -151.54 6.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 96.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' ' CD ' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -170.23 167.65 4.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' CD ' ' HG2' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.0 154.69 42.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 76.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 3.4 m -48.5 176.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -67.27 136.08 54.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.499 HG23 ' CA ' ' A' ' 33' ' ' LEU . 10.0 mm -89.62 151.54 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.4 pt -136.77 154.78 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.5 ttt180 -90.81 102.81 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 ' CG1' HG23 ' A' ' 83' ' ' VAL . 41.6 t -106.0 117.03 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 m -75.05 109.09 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 85' ' ' VAL . 35.9 t -88.93 119.9 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.67 118.08 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.866 HG22 HG11 ' A' ' 85' ' ' VAL . 29.0 p -112.08 157.29 40.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.14 6.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.54 -173.13 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.44 140.22 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.07 140.55 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -101.86 126.95 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -110.52 142.58 42.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 5.4 m-85 -117.24 101.56 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.98 165.59 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.903 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -44.99 140.06 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 1.3 pt-20 -75.52 -20.16 58.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 15' ' ' SER . 0.7 OUTLIER -111.42 21.31 16.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.903 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -82.83 112.41 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.1 p-10 -37.92 148.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.546 HG13 ' HG ' ' A' ' 59' ' ' LEU . 18.1 t -47.31 -48.0 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -60.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -48.36 -53.11 18.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.58 -37.06 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.716 ' HA ' HD12 ' A' ' 46' ' ' ILE . 36.0 mttt -68.41 -44.8 74.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -48.67 -51.0 30.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -48.42 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.055 HG23 HD13 ' A' ' 50' ' ' LEU . 15.3 mt -58.9 -58.04 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -44.97 -38.78 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -57.17 -67.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.419 ' HD2' HD12 ' A' ' 50' ' ' LEU . 73.6 t80 -63.15 -67.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.055 HD13 HG23 ' A' ' 46' ' ' ILE . 3.1 mp -39.78 -50.2 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 88.13 28.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 57' ' ' LEU . 7.7 p -110.62 -172.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.28 128.4 44.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -61.89 -36.14 80.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.9 -16.96 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -109.56 6.88 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 86' ' ' VAL . 68.3 mt -100.32 140.71 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG21 ' HD2' ' A' ' 88' ' ' ARG . 16.9 t -129.79 134.13 63.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.882 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -93.47 128.55 39.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.59 106.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.802 ' O ' HG22 ' A' ' 62' ' ' THR . 23.5 t80 -108.91 138.67 44.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.802 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.7 t 52.54 22.65 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.23 89.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -104.68 120.13 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.46 154.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 59' ' ' LEU . 4.9 mt -120.38 -159.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ASP . 10.9 mmt180 -143.83 137.98 28.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -21.76 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.16 -26.61 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ARG . 80.1 m-20 -78.71 145.92 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -91.18 162.97 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.566 ' CD1' HD21 ' A' ' 33' ' ' LEU . 11.1 mt -69.3 -70.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -56.15 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -44.36 -40.52 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 8.3 mmt180 -74.84 -47.83 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.94 -31.76 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 66' ' ' LEU . 22.4 mt -43.08 108.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -110.42 -166.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -79.06 130.81 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 37.52 26.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -104.81 163.57 12.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -117.12 124.7 49.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.882 HG11 ' CD1' ' A' ' 59' ' ' LEU . 11.1 t -123.68 135.54 63.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -87.17 133.57 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.626 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.866 HG11 HG22 ' A' ' 24' ' ' THR . 8.3 p -103.35 147.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.671 ' O ' HD23 ' A' ' 57' ' ' LEU . 10.0 t -138.79 146.61 26.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.7 p -129.85 69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' HD2' HG21 ' A' ' 58' ' ' VAL . 43.3 mtp180 -41.68 142.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -50.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -118.89 125.54 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.0 p -112.77 138.61 49.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.14 159.59 8.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -44.97 -58.81 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.09 90.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 61.88 78.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.61 108.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.88 -162.52 5.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.71 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -92.44 156.28 17.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.18 108.29 0.37 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -67.21 141.58 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -87.31 111.49 21.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.11 139.78 28.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -83.98 140.21 32.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.84 165.67 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.38 40.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.2 m -96.81 139.13 33.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.54 161.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 121.94 18.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.533 HG23 ' C ' ' A' ' 33' ' ' LEU . 11.7 mm -81.97 148.77 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -126.37 163.46 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 15.1 ttp180 -96.3 102.77 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -106.69 117.39 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -77.0 112.26 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 85' ' ' VAL . 40.5 t -89.73 119.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -99.99 117.79 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.77 HG22 HG11 ' A' ' 85' ' ' VAL . 12.0 p -111.75 157.42 39.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.49 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.69 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -142.37 -179.99 6.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.0 p -120.9 138.93 53.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -133.77 165.09 25.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.51 110.95 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -97.66 151.97 19.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 19.4 m-85 -130.41 103.61 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.61 165.4 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.681 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -47.56 130.9 14.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.98 -23.06 67.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -113.71 52.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -116.07 117.22 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.444 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.6 p-10 -39.18 157.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG21 ' CB ' ' A' ' 66' ' ' LEU . 16.0 t -55.49 -46.79 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -43.94 -63.46 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.0 mtt-85 -47.42 -53.09 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.16 -40.64 47.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.649 ' HA ' HD12 ' A' ' 46' ' ' ILE . 39.2 mttt -62.66 -48.15 80.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -41.36 -50.6 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.93 65.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.991 HG23 HD13 ' A' ' 50' ' ' LEU . 12.5 mt -63.39 -58.32 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -40.0 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -59.91 -70.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.636 ' HD2' HD12 ' A' ' 50' ' ' LEU . 64.4 t80 -57.44 -59.79 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.991 HD13 HG23 ' A' ' 46' ' ' ILE . 7.4 mp -56.49 -18.16 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 31.5 p80 52.35 53.6 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' SG ' HG11 ' A' ' 87' ' ' VAL . 0.8 OUTLIER -132.91 -176.82 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.24 132.08 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.66 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -73.88 -19.27 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt-85 -108.53 18.04 21.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 86' ' ' VAL . 58.2 mt -111.5 138.57 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.0 t -127.09 137.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.844 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.68 127.59 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.264 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.61 107.6 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.83 ' O ' HG22 ' A' ' 62' ' ' THR . 25.6 t80 -106.81 130.64 54.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.1 t 52.73 19.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.27 -24.69 31.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HD3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -78.62 125.63 29.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.21 149.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 59' ' ' LEU . 6.1 mt -118.98 -178.4 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.8 mtp180 -141.11 148.55 40.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -34.85 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.7 pt20 -89.67 38.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.536 ' C ' HD12 ' A' ' 71' ' ' ILE . 7.1 m-20 -137.14 137.92 39.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -94.84 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 33' ' ' LEU . 1.2 mt -52.64 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -54.64 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -43.8 -50.78 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG3' HD22 ' A' ' 66' ' ' LEU . 56.2 mmt-85 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 142.3 -28.45 2.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 66' ' ' LEU . 38.4 mt -39.73 108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.08 -159.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -82.75 130.13 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.34 41.95 24.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.68 165.77 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -118.07 119.35 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.844 HG11 ' CD1' ' A' ' 59' ' ' LEU . 14.5 t -119.95 130.2 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -82.38 130.93 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.77 HG11 HG22 ' A' ' 24' ' ' THR . 8.7 p -100.62 146.77 8.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.616 ' O ' HD23 ' A' ' 57' ' ' LEU . 9.1 t -136.89 147.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.468 HG11 ' SG ' ' A' ' 52' ' ' CYS . 2.8 t -133.95 59.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -47.59 172.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 p -168.92 -58.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.7 77.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.34 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.53 -145.34 18.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.33 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.2 p -50.12 -25.42 3.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 148.05 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 60.61 151.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.4 125.56 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -82.23 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p 58.02 159.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 t 61.97 103.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.032 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.45 -168.38 36.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.419 1.074 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -76.81 117.39 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.3 p -88.0 168.87 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.04 134.03 7.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.09 29.05 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.02 167.86 20.83 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 15' ' ' SER . 32.0 t 62.17 128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.4 m 84.95 154.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -64.15 144.84 56.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.8 mm -93.33 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.26 159.22 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 2.7 ttt180 -92.36 102.54 15.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.24 118.92 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.63 ' OG ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -75.43 128.71 35.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 31' ' ' PHE . 43.1 t -108.34 119.76 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 85' ' ' VAL . 8.8 tptt -105.1 117.33 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.828 HG22 HG11 ' A' ' 85' ' ' VAL . 6.7 p -110.4 157.51 37.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.526 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 18.1 Cg_endo -75.03 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 70.4 mt-30 -160.84 -57.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -175.41 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.45 126.68 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.94 160.94 34.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -127.42 134.65 49.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 22' ' ' VAL . 7.3 m-85 -116.02 163.07 16.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 21.5 m-85 -138.97 102.46 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.75 165.16 26.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.79 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -41.16 135.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -70.06 -16.14 63.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -116.82 40.54 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -100.03 115.46 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.5 p-10 -38.63 153.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.86 HG12 ' HD2' ' A' ' 43' ' ' LYS . 18.5 t -52.32 -42.93 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -47.96 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 20.9 mtt-85 -41.82 -54.69 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 59' ' ' LEU . 2.0 t80 -49.64 -39.26 35.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.86 ' HD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mttt -65.58 -43.85 88.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -52.17 -54.31 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -38.81 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.005 HG23 HD13 ' A' ' 50' ' ' LEU . 43.2 mt -67.09 -44.75 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 6.2 p -57.06 -41.47 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.15 -44.09 31.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' HD2' HD12 ' A' ' 50' ' ' LEU . 59.2 t80 -91.25 -65.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.005 HD13 HG23 ' A' ' 46' ' ' ILE . 6.7 mp -46.28 -26.48 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 15.3 p-80 39.97 54.05 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.439 ' HB3' ' CG1' ' A' ' 87' ' ' VAL . 1.2 m -140.17 33.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' CYS . 86.8 m-20 61.64 139.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -85.95 -20.98 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.31 -24.93 66.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -102.92 12.25 36.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 54' ' ' ALA . 77.2 mt -100.0 142.39 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.818 HG21 ' HD2' ' A' ' 88' ' ' ARG . 48.3 t -130.19 125.83 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.01 127.09 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.4 mp -137.76 106.83 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.568 ' CD1' HG13 ' A' ' 77' ' ' ILE . 10.0 t80 -112.94 113.07 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.6 -1.01 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.43 30.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -95.21 126.08 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.8 133.3 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 59' ' ' LEU . 8.0 mt -94.61 -170.97 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.5 mmt180 -139.63 133.95 31.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -29.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -91.23 38.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.8 m-20 -143.08 138.37 29.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.4 mp -88.97 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD11 HD21 ' A' ' 33' ' ' LEU . 41.8 mt -48.1 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -44.6 -49.22 10.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' H ' HG22 ' A' ' 71' ' ' ILE . 19.9 mt-30 -49.39 -45.21 45.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HG3' HD22 ' A' ' 66' ' ' LEU . 17.8 mmt180 -69.37 -43.96 72.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.09 -28.67 1.0 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.568 HG13 ' CD1' ' A' ' 61' ' ' PHE . 24.5 mt -45.11 112.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.7 tp -117.0 -167.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 120.44 17.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.23 51.66 4.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.0 m -115.32 157.44 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.63 HG23 ' OG ' ' A' ' 21' ' ' SER . 93.8 m -110.35 121.88 46.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 59' ' ' LEU . 12.4 t -120.24 132.22 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -86.4 129.64 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.828 HG11 HG22 ' A' ' 24' ' ' THR . 6.1 p -97.97 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.731 ' O ' HD23 ' A' ' 57' ' ' LEU . 13.7 t -143.15 148.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 50' ' ' LEU . 25.5 t -125.52 67.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.818 ' HD2' HG21 ' A' ' 58' ' ' VAL . 14.9 mtp85 -41.66 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.84 151.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -68.85 121.3 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.577 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t -122.5 -57.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.04 -156.64 20.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 152.01 40.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -46.03 143.15 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.91 101.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 t -162.33 104.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 109.956 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.89 111.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.6 103.01 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.66 153.89 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.734 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -131.75 166.91 20.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.38 95.14 1.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.82 130.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 61.23 121.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.97 112.87 1.03 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -133.77 -58.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 63.39 157.65 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.153 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.66 3.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 m -77.48 -70.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -100.37 145.11 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 119.12 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.1 mm -75.38 153.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 35' ' ' GLU . 8.1 pt -136.56 153.65 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 15.4 ttp-105 -91.74 102.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.21 123.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -81.81 108.52 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' HB ' ' A' ' 85' ' ' VAL . 25.2 t -88.64 119.78 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.5 116.91 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.617 HG22 HG11 ' A' ' 85' ' ' VAL . 3.8 p -112.72 160.11 31.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.4 Cg_endo -75.0 47.79 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.789 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.82 -56.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.45 -177.0 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.6 p -109.7 139.38 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.64 110.35 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.67 130.89 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.28 170.22 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -139.15 100.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.47 165.49 25.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.731 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -44.99 138.63 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.2 pt-20 -76.56 -15.93 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.45 12.14 23.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.731 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -75.47 111.32 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -38.23 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.903 HG12 ' HD2' ' A' ' 43' ' ' LYS . 42.4 t -48.5 -52.67 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.59 -63.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -44.43 -55.26 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.59 -42.98 45.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.903 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -61.16 -45.21 95.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.21 -47.08 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.86 -35.73 24.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.919 HG23 HD13 ' A' ' 50' ' ' LEU . 8.2 mt -72.99 -44.92 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 p -56.56 -22.43 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -70.94 -57.62 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.721 ' HD2' HD12 ' A' ' 50' ' ' LEU . 51.6 t80 -78.85 -70.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.919 HD13 HG23 ' A' ' 46' ' ' ILE . 5.7 mp -42.74 -28.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.434 ' N ' ' C ' ' A' ' 49' ' ' TYR . 34.2 m80 61.64 50.56 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -122.75 -166.63 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.55 121.41 44.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.708 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -55.19 -26.96 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -25.49 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -102.17 3.26 38.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 86' ' ' VAL . 75.5 mt -98.1 140.74 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.6 131.23 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.808 ' HG ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -91.25 128.06 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.5 mp -137.76 118.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' O ' HG22 ' A' ' 62' ' ' THR . 33.4 t80 -121.85 113.63 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 80.53 1.81 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.49 45.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -99.12 118.66 36.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.46 146.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.599 HD22 ' HG3' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -116.15 176.78 4.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 22.1 mmt180 -119.84 159.34 24.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.79 -32.6 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -80.97 5.42 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 39' ' ' VAL . 96.0 m-20 -104.8 134.15 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -88.55 138.61 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD11 HD21 ' A' ' 33' ' ' LEU . 20.8 mt -43.95 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -47.85 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 71' ' ' ILE . 25.5 mt-30 -51.99 -41.5 62.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HG3' HD22 ' A' ' 66' ' ' LEU . 10.9 mmt180 -75.13 -32.23 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.49 -30.75 2.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 48.6 mt -42.98 109.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.22 -166.32 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.26 122.66 24.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.46 48.69 5.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -114.28 163.24 15.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -113.75 132.83 55.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.735 HG11 ' CD1' ' A' ' 59' ' ' LEU . 36.7 t -133.46 136.24 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -89.0 130.03 35.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.617 HG11 HG22 ' A' ' 24' ' ' THR . 8.6 p -100.21 151.04 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.788 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.6 t -137.5 158.23 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 87' ' ' VAL . 13.1 p -148.37 55.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.11 119.39 2.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 t 70.27 112.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 178.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 p -126.01 -59.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 133.02 -154.61 21.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -44.79 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t 58.01 79.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.8 t -76.64 80.56 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.71 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 110.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.77 153.66 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.57 144.22 2.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -101.82 -51.96 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 61.08 146.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.736 ' O ' HG12 ' A' ' 8' ' ' VAL . . . 116.41 -93.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 7' ' ' GLY . 6.0 p 50.74 177.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.7 ' H ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 72.92 160.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.32 100.96 2.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 161.44 13.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.85 151.57 61.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.3 Cg_endo -75.02 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -40.76 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.5 159.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 133.64 56.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.488 HG23 ' C ' ' A' ' 33' ' ' LEU . 6.4 mm -89.07 161.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 pt -138.55 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 62.9 ttp85 -117.93 102.75 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 83' ' ' VAL . 48.0 t -107.84 125.34 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' SER . 14.9 m -82.24 109.63 16.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG13 ' HB ' ' A' ' 85' ' ' VAL . 43.3 t -86.81 120.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.6 tppt? -102.44 117.66 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.748 HG22 HG11 ' A' ' 85' ' ' VAL . 8.7 p -110.36 157.98 36.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.57 6.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 173.94 -53.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -143.1 179.07 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -118.24 141.45 48.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 166.19 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.09 135.32 53.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -124.58 142.19 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 56.7 m-85 -123.46 101.04 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.52 165.7 25.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.044 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -47.21 131.02 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.52 ' HG3' ' ND2' ' A' ' 36' ' ' ASN . 1.4 pt-20 -67.73 -21.82 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.52 ' ND2' ' HG3' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -103.64 25.18 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 1.044 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 22.0 m -88.71 111.99 22.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -37.23 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.878 HG12 ' HD2' ' A' ' 43' ' ' LYS . 13.8 t -46.44 -44.82 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -64.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.427 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 18.9 mtt180 -44.08 -55.24 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.52 -36.61 23.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.878 ' HD2' HG12 ' A' ' 39' ' ' VAL . 1.7 mttt -70.77 -43.53 68.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 39.8 mttt -47.44 -39.73 16.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -47.0 86.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.729 HG21 HG21 ' A' ' 85' ' ' VAL . 17.9 mt -63.14 -54.89 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -29.77 33.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.33 -66.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.653 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 19.9 t80 -60.35 -51.54 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD22 ' CG2' ' A' ' 46' ' ' ILE . 7.2 mp -65.67 -13.4 59.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.653 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 1.7 p80 39.57 53.63 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' SG ' HG11 ' A' ' 87' ' ' VAL . 1.5 m -115.8 -97.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.84 127.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -13.15 56.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 5.0 t70 -75.61 -25.14 56.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -109.84 19.32 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 86' ' ' VAL . 35.5 mt -109.24 129.16 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG12 HD11 ' A' ' 60' ' ' ILE . 29.0 t -121.48 135.98 59.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.793 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.11 126.23 42.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 58' ' ' VAL . 3.6 mp -138.56 108.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.8 ' O ' HG22 ' A' ' 62' ' ' THR . 32.5 t80 -108.31 138.48 44.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.8 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.0 t 52.35 20.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 -8.43 79.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -98.54 123.88 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.54 148.31 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD12 HD12 ' A' ' 59' ' ' LEU . 25.2 mt -109.91 -159.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -152.14 140.34 20.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -48.48 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -65.6 -25.73 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.602 ' O ' HG23 ' A' ' 39' ' ' VAL . 88.1 m-20 -82.41 135.08 35.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.3 mp -87.61 164.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 33' ' ' LEU . 14.2 mt -68.25 -70.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -44.61 -55.65 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.08 -46.54 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HG3' HD22 ' A' ' 66' ' ' LEU . 7.4 mmt180 -65.82 -38.03 87.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.22 -31.2 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 18.7 mt -41.06 114.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.4 tp -120.55 -167.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.99 119.78 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.21 3.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -112.68 147.06 37.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.7 m -103.18 111.12 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.793 HG11 ' CD1' ' A' ' 59' ' ' LEU . 19.8 t -113.83 130.89 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.13 130.21 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.748 HG11 HG22 ' A' ' 24' ' ' THR . 4.9 p -101.51 149.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.721 ' O ' HD23 ' A' ' 57' ' ' LEU . 9.0 t -138.63 147.0 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.467 HG11 ' SG ' ' A' ' 52' ' ' CYS . 7.3 t -127.69 64.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 55' ' ' ASP . 11.3 mtm105 -33.6 149.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -169.73 161.79 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 155.6 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.609 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.45 139.39 32.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.42 97.32 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 144.17 30.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m 54.83 87.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.86 82.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t 43.05 78.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.66 95.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.95 -179.35 18.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -174.85 161.99 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -139.12 161.74 36.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.74 165.81 12.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.54 116.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.3 t -172.52 122.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.8 163.72 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -135.01 137.83 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.75 166.55 11.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 172.07 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.33 161.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 123.87 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.521 HG23 ' CA ' ' A' ' 33' ' ' LEU . 13.2 mm -80.19 158.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -140.76 155.25 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 3.8 ttm180 -92.27 102.87 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.9 127.06 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m -83.56 111.12 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' HIS . 39.6 t -90.55 120.21 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -100.55 117.73 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.84 HG22 HG11 ' A' ' 85' ' ' VAL . 16.7 p -110.82 156.77 40.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.38 5.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.3 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.9 -175.05 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 p -124.14 139.68 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.544 ' NE2' ' CE1' ' A' ' 49' ' ' TYR . 3.4 t60 -140.58 156.06 46.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.25 125.6 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -112.24 152.6 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 28.8 m-85 -125.1 101.85 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.26 164.45 28.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . -41.25 137.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.71 -28.84 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -95.57 -8.88 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.817 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -53.09 119.36 4.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -45.04 155.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.855 HG13 ' HG ' ' A' ' 59' ' ' LEU . 16.2 t -54.13 -51.61 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.28 -59.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -47.89 -54.12 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.95 -42.62 48.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.789 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.22 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -49.46 -50.8 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.7 -33.67 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 43' ' ' LYS . 22.0 mt -74.83 -42.09 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 p -64.82 -22.75 67.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -73.94 -66.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.73 ' HD2' HD22 ' A' ' 50' ' ' LEU . 62.6 t80 -55.53 -73.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.775 HD23 HG23 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER 87.69 27.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.05 -166.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.37 114.5 28.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -50.08 -41.84 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -26.55 27.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -103.04 13.83 33.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 54' ' ' ALA . 95.4 mt -104.95 144.39 31.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG21 ' HD2' ' A' ' 88' ' ' ARG . 21.2 t -130.21 140.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.855 ' HG ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -97.07 127.52 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.94 108.11 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CD1' HG13 ' A' ' 77' ' ' ILE . 31.6 t80 -109.72 109.74 20.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.17 -1.86 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.17 -19.73 13.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.85 125.03 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.45 137.73 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -104.96 -178.58 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.06 160.44 23.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -65.77 -47.0 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -65.9 -10.18 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 39' ' ' VAL . 92.3 m-20 -93.19 135.08 34.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -85.25 164.56 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.623 HD11 HD21 ' A' ' 33' ' ' LEU . 16.4 mt -67.8 -70.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' GLY . 28.0 p -46.18 -56.26 5.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -46.39 -35.68 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' CG ' HD22 ' A' ' 66' ' ' LEU . 6.9 mmt180 -81.46 -27.6 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 134.66 -37.02 2.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 61' ' ' PHE . 28.6 mt -40.47 112.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.27 -168.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 124.77 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.59 51.04 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.8 m -112.88 158.14 20.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -112.24 123.14 49.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.3 t -124.18 130.01 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -81.9 130.91 35.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.84 HG11 HG22 ' A' ' 24' ' ' THR . 6.1 p -102.29 149.79 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.0 t -142.08 153.57 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.25 67.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.532 ' HD2' HG21 ' A' ' 58' ' ' VAL . 1.2 mtp85 -40.29 159.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.2 m -110.59 169.9 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -144.15 98.28 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.618 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 89.69 8.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -168.63 95.72 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m 54.98 95.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.63 92.29 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -105.65 96.78 6.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -143.73 -58.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.01 139.85 39.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.489 ' HB3' HG21 ' A' ' 8' ' ' VAL . 1.3 t -137.88 151.47 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -94.47 139.09 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 64.75 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.489 HG21 ' HB3' ' A' ' 5' ' ' SER . 76.3 t -137.46 108.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -159.13 159.77 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.51 152.4 8.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.11 167.77 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -171.8 151.14 2.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 79.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -115.57 151.26 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.411 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 3.7 m 57.61 159.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 141.87 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.48 HG23 ' CA ' ' A' ' 33' ' ' LEU . 8.1 mm -90.86 157.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.3 pt -139.77 153.5 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 18.8 ttt180 -92.41 102.57 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.24 118.68 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -75.65 110.31 9.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.422 HG13 ' HB ' ' A' ' 85' ' ' VAL . 40.2 t -89.98 120.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.81 117.76 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.741 HG22 HG11 ' A' ' 85' ' ' VAL . 8.1 p -112.6 157.94 38.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 179.47 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.85 -175.84 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 p -123.76 138.07 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -133.69 164.87 26.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -127.43 113.88 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -101.17 150.81 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.542 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 23.8 m-85 -127.95 101.59 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.772 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.71 165.66 25.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.6 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.62 140.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 6.0 pt-20 -77.33 -11.92 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -111.38 0.19 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -62.79 111.63 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -39.19 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.764 HG12 ' HD2' ' A' ' 43' ' ' LYS . 5.3 t -53.17 -51.78 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -39.14 -58.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -50.67 -54.14 25.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -50.37 -33.54 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.764 ' HD2' HG12 ' A' ' 39' ' ' VAL . 5.0 mttt -72.46 -44.16 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -50.13 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -43.95 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.101 HG23 HD13 ' A' ' 50' ' ' LEU . 14.5 mt -64.39 -54.53 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 p -46.95 -34.32 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -64.06 -68.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.577 ' HD2' HD12 ' A' ' 50' ' ' LEU . 62.3 t80 -60.13 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.101 HD13 HG23 ' A' ' 46' ' ' ILE . 6.4 mp -44.59 -27.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' N ' ' C ' ' A' ' 49' ' ' TYR . 32.3 m80 65.0 50.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.671 ' SG ' HD21 ' A' ' 57' ' ' LEU . 24.4 p -132.23 -170.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -99.46 135.54 40.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -68.3 -16.8 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.27 -16.15 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -111.92 4.03 17.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 86' ' ' VAL . 87.1 mt -96.05 138.46 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.7 t -130.04 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -97.49 129.4 44.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.92 106.91 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 33.4 t80 -111.17 109.64 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 85.09 -32.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.02 -18.89 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -87.4 117.75 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.36 128.69 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 59' ' ' LEU . 16.8 mt -81.06 -149.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -139.61 -92.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -172.9 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -84.85 9.94 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . 1.5 m-20 -98.2 141.99 30.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -90.09 139.48 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD11 HD21 ' A' ' 33' ' ' LEU . 23.1 mt -52.11 -70.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 t -42.0 -46.77 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 71' ' ' ILE . 3.7 mt-30 -50.41 -55.94 13.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' HD22 ' A' ' 66' ' ' LEU . 46.2 mmt-85 -60.4 -38.23 83.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.91 -22.66 2.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.575 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 39.5 mt -47.69 105.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tp -108.6 -161.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.6 137.52 36.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.26 33.7 68.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -98.59 163.74 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.776 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -114.26 130.33 56.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.726 HG11 ' CD1' ' A' ' 59' ' ' LEU . 22.5 t -131.26 129.19 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -82.65 133.49 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.741 HG11 HG22 ' A' ' 24' ' ' THR . 8.6 p -103.13 153.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.785 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.1 t -142.59 155.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG22 ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -145.57 57.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -48.48 177.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.61 172.1 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 86.99 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.02 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.17 135.28 4.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t 56.29 108.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.71 86.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.438 HD13 ' N ' ' A' ' 34' ' ' ALA . 2.7 mm -73.23 151.57 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 pt -134.43 156.18 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 16.3 ttp180 -93.49 102.82 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 HG23 ' A' ' 83' ' ' VAL . 87.3 t -103.84 116.52 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 m -75.17 110.36 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' HIS . 44.1 t -88.46 121.45 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.35 117.66 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.945 HG22 HG11 ' A' ' 85' ' ' VAL . 63.6 p -110.3 159.16 33.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 18.3 Cg_endo -74.98 68.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER 166.69 -61.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.96 -169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -128.18 144.45 51.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.327 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.3 t60 -140.53 156.95 46.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -113.47 142.16 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 15.2 m-85 -121.75 102.2 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.53 165.58 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.688 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -52.19 127.31 21.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.65 -23.82 67.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 41.7 p-10 -99.32 37.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.688 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 19.2 m -104.02 111.51 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 1.1 p-10 -39.74 149.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.861 HG12 ' HD2' ' A' ' 43' ' ' LYS . 18.7 t -43.42 -45.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -48.52 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 19.4 mtt-85 -38.61 -56.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -49.36 -42.24 41.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.861 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -60.56 -54.48 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.81 -48.32 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.93 -38.9 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.101 HG23 HD13 ' A' ' 50' ' ' LEU . 8.5 mt -72.18 -47.38 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 p -55.28 -27.9 49.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -68.64 -53.92 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HD12 ' A' ' 50' ' ' LEU . 61.6 t80 -75.77 -66.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.101 HD13 HG23 ' A' ' 46' ' ' ILE . 6.6 mp -45.68 -26.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 88.8 m-70 64.54 32.8 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' A' ' 57' ' ' LEU . 14.1 p -106.16 -153.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.2 m-80 -117.92 128.66 55.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -67.65 -12.48 60.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -115.42 -2.85 12.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 86' ' ' VAL . 77.9 mt -84.75 142.34 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 t -130.14 133.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.713 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.86 129.11 37.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.63 109.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 24.7 t80 -115.27 113.52 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.43 1.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.6 -16.58 31.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -92.64 127.47 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.21 138.5 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.696 HD12 HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.88 -175.43 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.0 mmt180 -130.58 138.73 50.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.22 -26.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -90.88 34.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 39' ' ' VAL . 7.0 m-20 -141.54 134.26 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.5 mp -80.99 162.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.725 HD11 HD21 ' A' ' 33' ' ' LEU . 22.2 mt -69.45 -70.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -57.19 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -44.59 -42.44 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 10.8 mmt180 -71.53 -37.26 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.03 -23.79 2.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.571 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 27.0 mt -50.17 108.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.45 -165.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.38 125.03 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.51 41.96 8.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 m -105.68 164.32 12.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -116.53 123.67 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.713 HG11 ' CD1' ' A' ' 59' ' ' LEU . 22.0 t -123.02 133.22 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -85.9 131.87 34.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.945 HG11 HG22 ' A' ' 24' ' ' THR . 8.2 p -101.44 151.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.791 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.4 t -143.07 154.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.41 65.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.345 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.5 mm -86.29 160.08 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.5 176.68 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' NE ' ' OE1' ' A' ' 30' ' ' GLU . 9.7 ttt180 -107.79 102.79 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.86 120.39 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 m -85.59 108.85 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.575 HG13 ' HB ' ' A' ' 85' ' ' VAL . 18.6 t -89.23 120.63 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.83 117.8 31.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.827 HG22 HG11 ' A' ' 85' ' ' VAL . 19.9 p -109.93 159.36 32.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 62.38 5.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -49.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.32 -168.07 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -122.89 144.48 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -144.6 105.64 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 4.6 mt-10 -73.89 131.32 41.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 29' ' ' HIS . 68.1 m-85 -113.64 167.32 10.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -139.04 102.0 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.836 HD21 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.67 165.35 25.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.681 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -47.51 131.18 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -68.07 -8.3 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.77 39.04 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -102.65 116.73 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.1 p-10 -38.8 152.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.711 HG12 ' HD2' ' A' ' 43' ' ' LYS . 6.9 t -48.52 -46.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 41' ' ' ARG . 1.2 ttt180 -47.23 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ARG . 15.4 mtt180 -39.16 -57.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 59' ' ' LEU . 2.4 t80 -47.86 -44.14 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.711 ' HD2' HG12 ' A' ' 39' ' ' VAL . 14.6 mttt -61.14 -44.43 97.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -45.26 -54.21 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -40.74 52.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.807 ' CG2' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -70.75 -51.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -51.1 -21.79 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -76.63 -70.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.415 ' CD2' HD12 ' A' ' 50' ' ' LEU . 16.3 t80 -54.62 -52.53 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.807 HD22 ' CG2' ' A' ' 46' ' ' ILE . 3.8 mp -70.22 -7.62 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.6 p80 41.22 56.52 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -129.39 -174.62 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.17 129.96 43.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.02 -15.97 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.43 -15.7 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -6.1 15.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 86' ' ' VAL . 84.0 mt -86.91 142.17 28.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' HD2' ' A' ' 88' ' ' ARG . 18.8 t -130.02 139.46 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.953 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -99.28 127.6 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.56 106.92 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 62' ' ' THR . 10.2 t80 -112.18 112.81 24.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.48 -2.76 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.09 0.59 30.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.14 126.0 50.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.38 130.58 34.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.953 HD12 HD12 ' A' ' 59' ' ' LEU . 8.4 mt -94.92 -170.61 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.9 mmt180 -141.7 136.86 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -28.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -90.41 34.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.7 m-20 -142.0 138.49 31.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -86.88 158.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.836 ' CD1' HD21 ' A' ' 33' ' ' LEU . 26.3 mt -67.31 -70.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -46.49 -54.55 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.62 -44.98 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.422 ' NE ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 mmt180 -68.06 -42.01 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 -31.21 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 22.3 mt -46.49 110.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -112.33 -165.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.57 126.34 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.19 46.76 9.84 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 m -110.7 158.4 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -108.19 131.59 54.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 59' ' ' LEU . 11.8 t -132.94 128.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.01 134.26 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.827 HG11 HG22 ' A' ' 24' ' ' THR . 9.8 p -104.03 149.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.605 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.7 t -141.01 152.11 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.7 p -135.95 68.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD2' HG21 ' A' ' 58' ' ' VAL . 2.7 mtt85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' A' ' 34' ' ' ALA . 11.5 mm -77.73 128.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 35' ' ' GLU . 14.6 pt -105.98 164.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 ttp85 -106.88 102.58 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.84 126.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 m -79.44 109.38 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 31' ' ' PHE . 39.7 t -87.56 120.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.537 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -98.43 117.75 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.856 HG22 HG11 ' A' ' 85' ' ' VAL . 34.5 p -111.84 157.92 38.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 60.5 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 179.29 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.82 -174.42 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.44 137.89 54.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 108.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.21 137.49 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -99.57 126.84 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 22' ' ' VAL . 20.5 m-85 -107.17 153.32 22.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 19.9 m-85 -127.49 101.78 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.76 165.51 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.605 ' HA ' HD13 ' A' ' 17' ' ' ILE . . . -48.63 135.45 14.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' ILE . 17.6 pt-20 -74.01 -4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.24 29.06 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.17 123.2 38.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.1 155.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 43' ' ' LYS . 15.6 t -50.07 -47.12 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -45.88 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -42.97 -54.66 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.43 -39.19 46.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.862 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.81 -45.44 82.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -50.92 -49.71 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.72 -34.08 17.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.08 HG23 HD13 ' A' ' 50' ' ' LEU . 11.3 mt -74.95 -43.6 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.2 p -58.63 -18.95 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -53.78 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.746 ' HD2' HD12 ' A' ' 50' ' ' LEU . 75.4 t80 -80.9 -68.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.08 HD13 HG23 ' A' ' 46' ' ' ILE . 5.9 mp -42.51 -31.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 78.9 m-70 64.54 48.43 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.6 m -127.89 172.12 11.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.353 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.73 126.26 32.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.99 -15.01 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.21 -17.94 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -113.5 5.49 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 86' ' ' VAL . 54.3 mt -91.19 142.31 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.19 135.24 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.745 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -96.79 129.01 44.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.438 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.6 mp -137.94 114.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.793 ' O ' HG22 ' A' ' 62' ' ' THR . 35.3 t80 -116.79 137.49 52.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.29 20.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.68 77.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.2 mmmt -95.71 123.59 39.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.27 148.16 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 59' ' ' LEU . 5.4 mt -115.24 -169.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -143.36 143.38 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -31.73 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.419 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.0 pt20 -90.13 36.21 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' C ' HD12 ' A' ' 71' ' ' ILE . 12.2 m-20 -140.24 143.65 36.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -90.94 162.5 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.563 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.3 mt -75.89 -69.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -54.19 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -43.59 -55.02 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 66' ' ' LEU . 47.2 mmt-85 -61.32 -40.19 93.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.52 -29.07 1.62 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.521 HG13 ' CG ' ' A' ' 61' ' ' PHE . 40.3 mt -40.84 106.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.34 -164.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -76.84 130.93 38.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.37 42.72 33.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -104.43 163.0 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -115.6 123.04 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.745 HG11 ' CD1' ' A' ' 59' ' ' LEU . 41.0 t -124.43 136.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -89.12 131.51 35.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.571 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.856 HG11 HG22 ' A' ' 24' ' ' THR . 9.9 p -100.21 149.47 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.698 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.6 t -141.02 151.57 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.625 HG22 ' CD2' ' A' ' 57' ' ' LEU . 12.5 t -135.75 69.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.491 HD13 ' N ' ' A' ' 34' ' ' ALA . 5.6 mm -67.86 135.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 15.2 pt -117.31 157.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 ttt180 -98.79 102.64 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.9 t -102.75 119.91 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -75.02 111.7 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' HB ' ' A' ' 85' ' ' VAL . 30.3 t -91.3 120.14 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.66 117.97 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.84 HG22 HG11 ' A' ' 85' ' ' VAL . 20.0 p -110.12 158.28 35.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 61.02 5.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 176.96 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -173.93 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.33 138.86 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 136.82 32.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.641 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.88 135.4 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -115.98 163.12 16.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 17.4 m-85 -135.93 102.17 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.76 165.54 25.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.769 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -53.23 130.17 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 10.6 pt-20 -64.53 -19.15 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -107.79 40.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.769 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 16.5 m -107.79 113.3 26.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.7 p-10 -38.97 154.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.882 HG12 ' HD2' ' A' ' 43' ' ' LYS . 23.1 t -52.31 -45.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.448 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 14.9 mtt180 -44.41 -54.37 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.72 -40.27 39.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.882 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -63.95 -48.21 77.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -49.08 -50.14 38.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -37.13 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.028 HG23 HD13 ' A' ' 50' ' ' LEU . 12.3 mt -70.92 -46.63 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -56.83 -22.97 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -69.97 -51.59 31.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.628 ' HD2' HD12 ' A' ' 50' ' ' LEU . 72.0 t80 -82.08 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.028 HD13 HG23 ' A' ' 46' ' ' ILE . 5.9 mp -44.31 -27.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 87.8 m-70 65.16 31.35 10.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.8 m -109.61 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -97.56 125.84 42.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -64.23 -13.75 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.75 -15.78 59.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.82 -4.52 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 86' ' ' VAL . 78.3 mt -82.72 140.54 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.26 131.63 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.848 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -90.47 125.69 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.38 106.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.813 ' O ' HG22 ' A' ' 62' ' ' THR . 29.6 t80 -108.01 136.03 48.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.6 t 52.62 21.91 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.99 -4.0 86.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.61 118.14 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.58 134.15 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.848 HD12 HD12 ' A' ' 59' ' ' LEU . 45.1 mt -94.83 -166.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 10.7 mmt180 -142.94 140.97 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -52.95 -36.66 60.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.86 3.85 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 39' ' ' VAL . 67.0 m-20 -113.97 135.36 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -80.45 164.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.575 ' CD1' HD21 ' A' ' 33' ' ' LEU . 3.0 mt -70.79 -68.98 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' GLY . 41.0 t -48.55 -58.03 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -43.27 -36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -78.18 -39.09 41.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 149.73 -33.0 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.656 HD11 HD11 ' A' ' 66' ' ' LEU . 37.0 mt -43.12 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.94 -167.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 127.96 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.72 45.61 16.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 m -108.4 170.1 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -117.58 132.91 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 59' ' ' LEU . 41.0 t -134.88 137.77 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -90.55 131.12 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.84 HG11 HG22 ' A' ' 24' ' ' THR . 9.8 p -101.13 152.58 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.768 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.2 t -143.1 152.17 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.4 p -136.45 68.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' VAL . 10.2 mtp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 34' ' ' ALA . 17.7 mm -85.84 156.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 35' ' ' GLU . 7.3 pt -139.71 154.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.9 ttt180 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.87 121.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -76.64 109.82 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.41 119.99 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -99.37 117.53 34.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.93 HG22 HG11 ' A' ' 85' ' ' VAL . 54.4 p -108.54 159.36 31.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.26 6.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.09 -168.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 p -128.13 140.65 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -134.96 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.71 120.66 29.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 28.1 m-85 -131.05 101.62 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 165.54 25.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.652 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.43 136.55 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 18' ' ' ILE . 9.7 pt-20 -74.75 -16.79 60.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.61 28.61 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -87.38 155.69 19.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -78.25 153.42 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 70' ' ' ASP . 7.0 t -51.74 -45.07 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -66.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 mtt-85 -45.95 -53.43 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.5 t80 -50.29 -35.84 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.833 ' HA ' HD12 ' A' ' 46' ' ' ILE . 46.2 mttt -71.17 -44.14 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.14 -48.15 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -42.61 68.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.066 HG23 HD13 ' A' ' 50' ' ' LEU . 9.0 mt -66.73 -52.67 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -51.63 -28.09 13.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.671 ' HD2' HD12 ' A' ' 50' ' ' LEU . 54.3 t80 -70.39 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.066 HD13 HG23 ' A' ' 46' ' ' ILE . 6.6 mp -50.2 -23.61 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 75.0 m-70 59.25 51.06 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.56 ' SG ' HD21 ' A' ' 57' ' ' LEU . 8.7 p -129.49 -174.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.4 133.42 42.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -11.98 60.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.69 -18.56 58.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -111.7 2.32 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 86' ' ' VAL . 64.5 mt -92.86 137.13 32.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.619 HG21 ' HD2' ' A' ' 88' ' ' ARG . 21.4 t -130.46 136.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.815 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.63 130.28 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.5 107.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 62' ' ' THR . 30.1 t80 -111.42 109.91 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 86.0 -19.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.16 -12.82 4.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -94.62 123.03 37.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.94 142.88 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.768 HD12 HD12 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -112.82 171.16 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ASP . 8.7 mmt180 -123.74 149.22 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -43.47 -54.15 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 25.3 pt20 -54.85 -33.23 61.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.9 m-20 -71.48 134.59 46.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -90.41 164.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.618 ' CD1' HD21 ' A' ' 33' ' ' LEU . 18.8 mt -73.69 -70.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -53.86 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.054 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.23 -58.19 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.675 ' HG3' HD22 ' A' ' 66' ' ' LEU . 35.8 mmt-85 -57.22 -33.81 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 139.68 -30.34 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 61' ' ' PHE . 48.0 mt -39.85 105.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -115.77 -163.06 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.61 132.53 42.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.31 41.71 44.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -107.45 157.15 18.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -111.9 124.49 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.815 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -124.37 129.69 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -84.7 130.0 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.93 HG11 HG22 ' A' ' 24' ' ' THR . 7.0 p -101.45 151.09 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.728 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.2 t -142.75 152.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.81 71.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.619 ' HD2' HG21 ' A' ' 58' ' ' VAL . 2.5 mtp85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 34' ' ' ALA . 10.1 mm -82.34 157.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 35' ' ' GLU . 8.2 pt -135.8 -178.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.7 ttp180 -114.28 102.9 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 t -110.76 122.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -85.01 110.37 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.642 HG13 ' HB ' ' A' ' 85' ' ' VAL . 30.6 t -89.34 120.43 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.88 117.81 31.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.782 HG22 HG11 ' A' ' 85' ' ' VAL . 9.0 p -109.72 158.66 34.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.79 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.8 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -171.91 4.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.18 142.75 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.25 105.68 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -74.41 130.89 40.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -114.13 165.85 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 m-85 -139.07 101.84 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.78 165.39 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . -40.81 137.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.523 ' HB3' HG23 ' A' ' 18' ' ' ILE . 1.7 pt-20 -77.36 -20.65 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.47 27.3 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.895 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -87.59 154.1 20.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.023 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 4.2 p-10 -76.01 152.76 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 70' ' ' ASP . 4.4 t -51.53 -49.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.56 -61.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 mtt-85 -49.39 -52.54 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.88 -35.21 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' ILE . 31.2 mttt -70.23 -44.92 67.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -48.07 -49.74 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -44.27 64.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.009 HG23 HD13 ' A' ' 50' ' ' LEU . 11.3 mt -64.49 -53.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.16 -36.91 6.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -55.86 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' HD2' HD12 ' A' ' 50' ' ' LEU . 63.4 t80 -62.24 -60.18 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.009 HD13 HG23 ' A' ' 46' ' ' ILE . 7.0 mp -51.69 -21.62 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 29.1 p80 52.86 51.1 16.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.2 m -131.94 -175.67 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.18 137.98 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.77 -14.67 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -75.67 -8.23 56.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.83 -10.11 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 86' ' ' VAL . 84.1 mt -83.75 137.62 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG21 ' HD2' ' A' ' 88' ' ' ARG . 6.4 t -129.57 138.47 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -95.55 127.82 41.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.426 ' CG1' HG12 ' A' ' 65' ' ' ILE . 3.5 mp -138.13 106.46 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.788 ' O ' HG22 ' A' ' 62' ' ' THR . 20.6 t80 -107.8 134.34 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 61' ' ' PHE . 14.0 t 51.41 25.24 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.3 67.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' PHE . 4.2 mmtp -117.13 116.72 27.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' CG1' ' A' ' 60' ' ' ILE . 11.8 mt -63.43 136.06 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -116.66 171.73 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.08 151.16 47.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -55.23 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.485 ' O ' HD12 ' A' ' 71' ' ' ILE . 19.5 pt20 -52.79 -36.53 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 39' ' ' VAL . 18.1 m-20 -69.73 129.53 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.8 mp -83.91 163.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 33' ' ' LEU . 17.0 mt -68.2 -69.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.6 p -44.4 -61.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.79 -48.72 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.682 ' HG3' HD22 ' A' ' 66' ' ' LEU . 12.2 mmt180 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.74 -27.27 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 61' ' ' PHE . 32.4 mt -48.77 108.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 0.815 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.39 -165.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.5 128.71 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.41 46.41 20.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -113.74 173.79 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.7 m -127.0 132.12 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.628 HG11 ' CD1' ' A' ' 59' ' ' LEU . 3.3 t -133.38 131.91 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -81.94 134.98 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.782 HG11 HG22 ' A' ' 24' ' ' THR . 6.7 p -105.0 151.73 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.2 t -141.02 153.19 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.5 p -136.54 68.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HD2' HG21 ' A' ' 58' ' ' VAL . 8.6 mtp180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 33' ' ' LEU . 6.3 mm -84.3 155.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 35' ' ' GLU . 10.5 pt -140.65 158.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.17 102.72 14.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 42' ' ' PHE . 61.9 t -105.7 114.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 30' ' ' GLU . 19.6 m -76.97 109.58 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG13 ' HB ' ' A' ' 85' ' ' VAL . 14.9 t -89.11 121.8 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.63 117.42 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.717 HG22 HG11 ' A' ' 85' ' ' VAL . 6.2 p -111.0 159.52 32.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.95 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.38 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.87 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.541 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 12.7 p -117.82 149.67 40.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 28' ' ' CYS . 34.2 m170 -145.23 114.4 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -84.76 133.2 34.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -121.37 166.88 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.33 101.92 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.27 165.63 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -49.65 132.43 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.8 pt-20 -69.16 -14.63 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.24 39.19 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -104.26 113.48 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.68 151.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.723 HG12 ' HD2' ' A' ' 43' ' ' LYS . 10.0 t -43.48 -45.62 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -49.95 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -40.31 -55.76 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 1.2 t80 -49.28 -43.11 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' ILE . 5.2 mttt -62.45 -46.9 86.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -41.96 -53.54 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.035 HG23 HD13 ' A' ' 50' ' ' LEU . 8.3 mt -64.53 -53.4 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 p -45.09 -36.48 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 3.2 mptt -67.43 -70.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.674 ' HD2' HD12 ' A' ' 50' ' ' LEU . 69.4 t80 -52.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.035 HD13 HG23 ' A' ' 46' ' ' ILE . 7.1 mp -50.94 -22.99 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 89.2 m-70 61.62 50.99 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -168.66 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.83 130.34 48.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.789 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -65.83 -17.14 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.32 -27.14 66.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -100.63 -1.91 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 54' ' ' ALA . 84.7 mt -88.78 142.43 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.3 130.53 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.916 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.68 127.22 35.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.9 108.59 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 62' ' ' THR . 39.3 t80 -106.57 130.83 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.5 t 51.86 20.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.37 -24.62 31.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HD3' HG23 ' A' ' 62' ' ' THR . 10.3 mptt -78.9 124.75 28.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.58 147.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.916 HD12 HD12 ' A' ' 59' ' ' LEU . 11.1 mt -112.5 -169.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 27.3 mmt180 -146.76 139.33 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 4.3 p30 -42.08 -35.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.418 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 15.6 pt20 -87.31 40.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.1 m-20 -148.25 136.21 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 71' ' ' ILE . 1.1 mp -81.95 159.12 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' HD21 ' A' ' 33' ' ' LEU . 6.3 mt -72.01 -64.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLY . 54.0 p -48.12 -57.93 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.99 -44.44 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 15.1 mmt180 -69.19 -30.32 68.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 135.86 -32.38 2.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.585 HD11 HD11 ' A' ' 66' ' ' LEU . 50.0 mt -43.01 110.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.93 -167.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -73.36 129.61 38.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.07 47.31 24.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -109.81 161.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.0 m -110.36 123.43 49.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.713 HG11 ' CD1' ' A' ' 59' ' ' LEU . 37.7 t -125.7 132.44 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.45 133.86 34.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.717 HG11 HG22 ' A' ' 24' ' ' THR . 8.3 p -102.83 149.14 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.789 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.7 t -137.29 155.2 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.7 63.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG23 ' CA ' ' A' ' 33' ' ' LEU . 12.1 mm -81.33 159.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 35' ' ' GLU . 6.2 pt -141.72 158.96 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 10.1 ttp-105 -95.05 102.81 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG13 HG23 ' A' ' 83' ' ' VAL . 98.7 t -104.6 116.79 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m -75.27 111.02 10.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 85' ' ' VAL . 41.7 t -90.73 122.68 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -101.6 117.62 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.941 HG22 HG11 ' A' ' 85' ' ' VAL . 47.7 p -108.63 158.81 33.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.53 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 172.63 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -127.03 -168.9 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.09 132.62 49.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -128.1 161.1 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.42 125.72 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -112.36 149.8 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 9.6 m-85 -125.58 101.54 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.08 165.37 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.722 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -40.52 141.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HB3' HG23 ' A' ' 18' ' ' ILE . 4.6 pt-20 -80.67 -7.55 59.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -117.48 4.37 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -66.28 113.74 4.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 3.0 p-10 -38.45 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.798 HG12 ' HD2' ' A' ' 43' ' ' LYS . 9.9 t -54.48 -43.45 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -62.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 16.2 mtt180 -47.05 -53.83 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.6 t80 -50.31 -38.43 41.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.798 ' HD2' HG12 ' A' ' 39' ' ' VAL . 2.7 mttt -66.22 -43.91 85.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.51 -48.6 78.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.25 -42.61 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.987 HG23 HD13 ' A' ' 50' ' ' LEU . 9.1 mt -65.53 -52.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -33.94 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -59.66 -70.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.717 ' HD2' HD12 ' A' ' 50' ' ' LEU . 58.4 t80 -64.4 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.987 HD13 HG23 ' A' ' 46' ' ' ILE . 6.0 mp -40.31 -29.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 82.3 m-70 64.7 49.95 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 89.2 m -127.36 -172.17 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.1 123.31 44.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.728 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -63.37 -22.87 67.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.24 -19.37 65.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -111.81 3.51 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 54' ' ' ALA . 88.6 mt -90.65 138.38 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.52 ' O ' HD12 ' A' ' 60' ' ' ILE . 40.8 t -130.11 129.84 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -85.46 130.45 34.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.6 mp -137.07 107.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.818 ' O ' HG22 ' A' ' 62' ' ' THR . 30.1 t80 -109.12 130.69 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.41 21.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.82 -12.85 66.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.44 117.63 25.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.75 131.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 59' ' ' LEU . 6.9 mt -97.45 -176.89 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' CG ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -111.82 -87.69 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' CG ' ' C ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -178.77 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.29 1.65 35.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -95.75 139.95 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.5 mp -87.97 137.45 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.653 HD11 HD21 ' A' ' 33' ' ' LEU . 47.7 mt -41.55 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.72 -52.91 16.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 58.6 mt-30 -43.95 -35.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.647 ' HG3' HD22 ' A' ' 66' ' ' LEU . 6.4 mmt180 -83.39 -46.06 12.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.52 -27.33 0.96 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 61' ' ' PHE . 27.2 mt -44.23 110.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -115.8 -168.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.48 131.98 43.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.217 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.76 43.41 35.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -108.23 159.62 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.8 m -113.25 127.1 56.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.725 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -126.35 130.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.5 130.13 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.941 HG11 HG22 ' A' ' 24' ' ' THR . 9.1 p -98.9 150.01 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.72 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.2 t -142.99 153.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 57' ' ' LEU . 4.1 t -137.47 73.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HD2' HG21 ' A' ' 58' ' ' VAL . 7.1 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.3 mm -76.98 156.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 18.1 pt -135.65 164.6 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 20.6 ttp180 -99.66 102.61 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -107.75 120.84 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -79.02 109.1 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 31' ' ' PHE . 52.5 t -87.61 121.08 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.1 tptt -106.77 117.29 33.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.764 HG22 HG11 ' A' ' 85' ' ' VAL . 3.2 p -110.86 163.35 17.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.0 7.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.99 -54.9 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 -174.41 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -115.18 127.51 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -137.69 150.23 47.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -110.93 132.55 54.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' HG21 ' A' ' 22' ' ' VAL . 23.6 m-85 -115.35 148.08 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 23.6 m-85 -125.93 103.53 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -136.4 165.38 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.766 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -46.66 132.02 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.4 pt-20 -72.92 -12.96 61.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.493 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 37.5 p-10 -111.83 32.06 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -102.43 116.95 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.54 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 43' ' ' LYS . 24.9 t -51.38 -49.24 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.66 -58.51 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -49.16 -53.24 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.2 t80 -51.27 -38.88 55.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.874 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -65.0 -50.39 66.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -46.87 -51.01 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.35 -38.96 55.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.002 HG23 HD13 ' A' ' 50' ' ' LEU . 14.0 mt -68.94 -49.61 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' HIS . 2.9 p -52.2 -40.54 61.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -47.83 -53.44 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.591 ' HD2' HD12 ' A' ' 50' ' ' LEU . 58.3 t80 -83.73 -65.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.002 HD13 HG23 ' A' ' 46' ' ' ILE . 5.6 mp -43.53 -27.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 17.5 p80 55.95 31.63 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' HG13 ' A' ' 87' ' ' VAL . 73.7 m -119.14 133.57 55.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' CYS . 6.0 m-80 -40.31 129.65 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -70.67 -23.37 62.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.4 -20.76 64.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -106.56 3.75 27.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -90.05 142.97 27.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.14 142.51 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -104.16 125.28 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -138.45 118.52 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' A' ' 77' ' ' ILE . 7.7 t80 -118.86 115.63 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 84.14 -40.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.66 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -87.49 146.5 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' LEU . 3.0 mp -89.56 152.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 59' ' ' LEU . 3.1 mt -107.2 -171.61 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.49 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -29.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.4 pt20 -92.11 40.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' C ' HD12 ' A' ' 71' ' ' ILE . 2.3 m-20 -145.22 143.2 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' ILE . 1.2 mp -90.0 161.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.775 HD11 HD21 ' A' ' 33' ' ' LEU . 23.1 mt -70.73 -70.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -56.92 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -45.63 -44.02 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HG3' HD22 ' A' ' 66' ' ' LEU . 8.3 mmt180 -68.25 -45.22 73.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.86 -28.81 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 61' ' ' PHE . 16.4 mt -49.48 110.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -113.97 -167.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.56 124.89 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.82 47.46 7.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -112.75 168.54 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -120.02 123.71 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -122.56 128.77 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -83.08 131.07 35.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.764 HG11 HG22 ' A' ' 24' ' ' THR . 7.7 p -100.73 153.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.764 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.1 t -143.06 153.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.41 HG13 ' HB3' ' A' ' 52' ' ' CYS . 16.4 t -133.44 67.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 34' ' ' ALA . 8.8 mm -77.77 146.46 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.45 HG23 ' HB3' ' A' ' 35' ' ' GLU . 12.4 pt -130.8 156.48 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 14.2 ttp-105 -94.27 102.86 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.81 119.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -75.19 113.14 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG13 ' HB ' ' A' ' 85' ' ' VAL . 42.8 t -91.42 122.54 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.676 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -99.49 118.01 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.014 HG22 HG11 ' A' ' 85' ' ' VAL . 71.1 p -112.41 156.88 41.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 68.06 5.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 169.44 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -148.83 -172.02 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.39 142.81 51.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.494 ' CE1' ' CE2' ' A' ' 49' ' ' TYR . 1.7 t-80 -141.25 158.63 43.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.98 131.79 56.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.02 145.21 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 40.9 m-85 -120.7 101.82 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.745 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.45 165.24 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.807 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -48.82 133.41 17.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HB3' HG23 ' A' ' 18' ' ' ILE . 13.5 pt-20 -68.09 -23.19 64.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.17 38.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.807 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 3.3 m -102.5 111.03 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.56 148.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 43' ' ' LYS . 12.1 t -43.57 -47.25 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -46.22 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ARG . 11.2 mtt-85 -37.97 -56.77 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -47.64 -46.96 29.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 46' ' ' ILE . 16.3 mttt -55.02 -47.7 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' CD ' ' A' ' 40' ' ' ARG . 12.3 mmtt -44.93 -51.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.72 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.024 HG23 HD13 ' A' ' 50' ' ' LEU . 12.2 mt -67.5 -50.92 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 p -48.01 -35.96 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -70.88 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.591 ' HD1' HD12 ' A' ' 50' ' ' LEU . 54.2 t80 -55.6 -63.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.024 HD13 HG23 ' A' ' 46' ' ' ILE . 7.8 mp -56.16 -24.47 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 62.94 53.33 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.61 -170.08 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.98 131.63 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -70.24 -14.15 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.46 -17.16 62.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -112.88 4.69 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 54' ' ' ALA . 91.4 mt -92.42 139.62 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.13 132.34 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.814 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.66 127.77 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.96 106.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.792 ' O ' HG22 ' A' ' 62' ' ' THR . 25.9 t80 -109.16 141.2 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.2 t 52.25 23.5 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.08 -2.32 87.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -105.07 124.75 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.5 143.23 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.605 HD12 HD12 ' A' ' 59' ' ' LEU . 21.0 mt -106.03 -155.73 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mmt180 -152.14 138.18 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 69' ' ' GLN . 2.3 p30 -44.65 -47.37 10.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 8.9 pt20 -64.95 -32.02 73.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 39' ' ' VAL . 72.5 m-20 -74.24 138.02 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.8 mp -87.0 164.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 1.6 mt -69.03 -70.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -49.22 -57.89 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -43.46 -34.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -81.05 -38.03 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 146.66 -26.85 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 66' ' ' LEU . 27.7 mt -48.65 109.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.89 -165.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 131.15 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.78 47.29 40.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.971 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.4 m -112.72 127.78 56.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.814 HG11 ' CD1' ' A' ' 59' ' ' LEU . 14.9 t -129.07 131.73 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.9 129.78 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 1.014 HG11 HG22 ' A' ' 24' ' ' THR . 8.8 p -98.0 154.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.695 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.8 t -143.03 151.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 87' ' ' VAL . 8.7 p -141.19 69.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.434 HG23 ' C ' ' A' ' 33' ' ' LEU . 5.0 mm -91.42 154.56 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 13.2 pt -139.91 158.6 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 25.2 ttp180 -94.33 102.85 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.49 121.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -76.46 112.5 13.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HB ' ' A' ' 85' ' ' VAL . 33.8 t -91.23 120.31 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -99.12 117.81 34.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.849 HG22 HG11 ' A' ' 85' ' ' VAL . 23.7 p -108.16 156.96 37.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.25 4.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.45 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -168.33 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.32 142.21 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 108.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -137.54 161.02 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -124.27 120.06 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' HG21 ' A' ' 22' ' ' VAL . 17.3 m-85 -108.41 149.48 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 19' ' ' ARG . 42.0 m-85 -127.73 101.93 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -136.03 165.26 26.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.759 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.74 133.26 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -66.95 -20.99 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -115.08 47.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.438 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -106.73 118.48 36.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.8 p-10 -39.58 151.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.871 HG12 ' HD2' ' A' ' 43' ' ' LYS . 30.7 t -50.13 -44.5 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -47.38 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.531 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 6.6 mtt-85 -38.92 -56.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.58 -40.02 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.871 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.79 -52.75 55.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -43.81 -49.92 7.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.24 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.049 HG23 HD13 ' A' ' 50' ' ' LEU . 11.2 mt -73.26 -47.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 p -53.05 -27.84 21.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -68.51 -60.38 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.606 ' HD2' HD12 ' A' ' 50' ' ' LEU . 61.7 t80 -68.86 -66.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.049 HD13 HG23 ' A' ' 46' ' ' ILE . 6.5 mp -44.66 -28.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 70.2 m-70 65.03 39.93 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.706 ' SG ' HD21 ' A' ' 57' ' ' LEU . 20.8 p -118.03 -158.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.45 135.84 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -67.68 -15.25 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -76.76 -16.21 59.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.98 -1.52 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 86' ' ' VAL . 83.5 mt -90.55 138.27 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.515 ' CG2' ' NH2' ' A' ' 88' ' ' ARG . 66.8 t -128.06 134.27 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.739 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -94.9 128.06 41.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.462 HD11 HG12 ' A' ' 58' ' ' VAL . 3.4 mp -137.69 109.54 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 62' ' ' THR . 24.6 t80 -113.05 112.17 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.96 -1.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.67 -10.2 30.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.125 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -96.55 127.46 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.55 135.31 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -100.73 -174.24 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -132.48 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -20.99 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -95.23 32.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 33.2 m-20 -141.12 144.76 35.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -90.36 161.63 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.788 HD11 HD21 ' A' ' 33' ' ' LEU . 1.2 mt -72.26 -61.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -51.55 -55.55 18.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -48.23 -46.03 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 14.0 mmt180 -65.83 -37.2 85.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.1 -26.73 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 61' ' ' PHE . 20.8 mt -47.81 110.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.6 tp -115.17 -166.05 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 125.77 29.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.59 8.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -108.44 157.56 18.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 m -109.02 121.92 46.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.739 HG11 ' CD1' ' A' ' 59' ' ' LEU . 20.1 t -123.69 131.46 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -84.39 128.35 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.849 HG11 HG22 ' A' ' 24' ' ' THR . 6.4 p -98.68 147.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.815 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.8 t -132.73 149.88 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 87' ' ' VAL . 9.8 p -145.47 68.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.515 ' NH2' ' CG2' ' A' ' 58' ' ' VAL . 51.3 mtm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 34' ' ' ALA . 8.9 mm -85.25 153.37 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 35' ' ' GLU . 9.9 pt -136.81 158.16 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 22.7 ttp180 -88.54 102.56 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.99 116.89 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.409 ' OG ' HG23 ' A' ' 82' ' ' THR . 1.1 t -76.04 143.97 41.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 31' ' ' PHE . 40.1 t -119.37 119.83 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.66 117.94 33.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.952 HG22 HG11 ' A' ' 85' ' ' VAL . 59.1 p -110.46 158.96 33.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.08 4.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.04 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.35 -168.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.21 136.36 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 108.259 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -133.68 165.78 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.645 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.07 144.55 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' ' 22' ' ' VAL . 16.0 m-85 -132.16 140.42 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 31.6 m-85 -121.44 104.43 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.78 165.09 26.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.757 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.64 132.64 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.522 ' HB3' HG23 ' A' ' 18' ' ' ILE . 5.5 pt-20 -69.89 -13.44 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -117.69 39.28 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -104.0 114.78 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -39.35 151.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.865 HG12 ' HD2' ' A' ' 43' ' ' LYS . 15.9 t -49.23 -45.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -66.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.3 mtt85 -42.96 -54.49 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.72 -41.89 44.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -44.82 -50.06 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -44.19 32.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.128 HG23 HD13 ' A' ' 50' ' ' LEU . 14.0 mt -67.14 -50.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 p -52.8 -35.13 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -54.44 47.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.63 ' HD2' HD12 ' A' ' 50' ' ' LEU . 49.8 t80 -78.35 -69.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.128 HD13 HG23 ' A' ' 46' ' ' ILE . 6.2 mp -41.05 -32.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 77.7 m-70 65.38 48.27 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.4 m -139.33 142.22 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.27 143.95 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -77.16 -19.16 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.59 -20.34 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -107.3 1.98 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 86' ' ' VAL . 87.4 mt -92.3 124.55 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HD12 ' A' ' 60' ' ' ILE . 24.5 t -118.46 127.83 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.81 125.42 33.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.1 mp -137.17 110.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' ILE . 5.0 t80 -119.6 117.59 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 79.31 7.58 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.92 6.54 59.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -112.52 127.12 55.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.33 125.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 59' ' ' LEU . 11.2 mt -84.98 -159.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 32.4 mmt180 -153.53 139.5 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -47.67 -41.56 22.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -70.37 -27.0 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.25 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.533 ' C ' HD12 ' A' ' 71' ' ' ILE . 39.2 m-20 -78.21 139.23 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -93.96 147.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD11 HD21 ' A' ' 33' ' ' LEU . 20.5 mt -48.01 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -57.91 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.465 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 67.7 mt-30 -40.73 -34.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -83.13 -49.93 8.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.24 -32.18 0.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.684 HD11 HD11 ' A' ' 66' ' ' LEU . 11.4 mt -43.4 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.0 OUTLIER -121.52 -165.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.94 128.42 35.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.79 52.2 9.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -120.58 155.02 34.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.409 HG23 ' OG ' ' A' ' 21' ' ' SER . 71.8 m -108.07 139.69 42.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.712 HG11 ' CD1' ' A' ' 59' ' ' LEU . 2.5 t -136.48 143.45 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.44 137.74 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.55 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.952 HG11 HG22 ' A' ' 24' ' ' THR . 7.9 p -105.31 149.91 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.868 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.3 t -133.68 154.25 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -139.68 63.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' A' ' 34' ' ' ALA . 21.2 mm -75.85 150.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 35' ' ' GLU . 12.1 pt -133.14 161.05 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' NE ' ' OE2' ' A' ' 30' ' ' GLU . 15.7 ttp-105 -99.46 103.06 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -108.73 121.3 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -79.93 108.64 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG13 ' HB ' ' A' ' 85' ' ' VAL . 19.2 t -87.38 119.81 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -98.3 117.29 32.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.76 HG22 HG11 ' A' ' 85' ' ' VAL . 6.3 p -113.44 159.92 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.2 Cg_endo -75.0 48.14 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.52 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.7 178.28 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.34 145.13 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -144.9 118.42 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.595 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.1 mt-10 -88.28 127.89 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -115.24 166.19 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -139.25 102.21 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.761 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.3 165.52 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.581 ' HA ' HD13 ' A' ' 17' ' ' ILE . . . -50.54 135.14 23.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.512 ' HB3' HG23 ' A' ' 18' ' ' ILE . 12.8 pt-20 -75.53 -4.39 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.487 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -116.12 15.89 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 m -86.68 109.79 19.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.66 150.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -40.62 -57.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -38.67 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HG3' ' ND2' ' A' ' 38' ' ' ASN . 13.4 mtt180 -49.16 -52.86 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.1 -42.05 60.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HA ' HD12 ' A' ' 46' ' ' ILE . 34.8 mttt -60.01 -47.24 86.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -41.75 -52.58 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -47.68 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.997 HG23 HD13 ' A' ' 50' ' ' LEU . 7.0 mt -63.39 -56.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.32 -35.97 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -64.12 -69.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.637 ' HD2' HD12 ' A' ' 50' ' ' LEU . 60.7 t80 -57.9 -58.91 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.997 HD13 HG23 ' A' ' 46' ' ' ILE . 7.4 mp -57.74 -17.4 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 30.4 p80 50.8 53.9 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.7 m -131.46 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.31 126.5 38.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.81 -16.74 64.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.64 -16.97 62.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.78 2.88 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 86' ' ' VAL . 93.9 mt -92.45 138.75 31.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -129.85 141.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.843 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -99.54 126.24 45.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.22 107.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' ' 62' ' ' THR . 20.9 t80 -113.74 110.67 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 62' ' ' THR . 0.5 OUTLIER 82.35 13.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.87 -9.6 70.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.569 1.168 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -95.71 127.14 41.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.09 137.59 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 59' ' ' LEU . 3.6 mt -104.74 171.92 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.6 mmt180 -116.82 139.16 50.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -50.1 -27.02 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.66 -29.35 33.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 67' ' ' ARG . 91.4 m-20 -70.17 141.05 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -91.68 137.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 33' ' ' LEU . 8.8 mt -41.48 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -46.25 -56.33 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.4 HE21 HD13 ' A' ' 71' ' ' ILE . 12.1 mt-30 -44.08 -37.31 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.634 ' HG3' HD22 ' A' ' 66' ' ' LEU . 12.9 mmt180 -78.88 -36.47 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 138.94 -23.86 2.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 35.6 mt -46.2 107.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -110.32 -165.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.05 129.71 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.75 44.25 32.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -109.42 163.1 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.5 m -109.47 139.42 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.843 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -141.16 136.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.7 128.81 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.76 HG11 HG22 ' A' ' 24' ' ' THR . 7.7 p -97.74 150.32 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.778 ' O ' HD23 ' A' ' 57' ' ' LEU . 7.1 t -137.85 156.04 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.3 p -139.14 68.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.499 HG23 ' CA ' ' A' ' 33' ' ' LEU . 10.0 mm -89.62 151.54 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.4 pt -136.77 154.78 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.5 ttt180 -90.81 102.81 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.404 ' CG1' HG23 ' A' ' 83' ' ' VAL . 41.6 t -106.0 117.03 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 m -75.05 109.09 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 85' ' ' VAL . 35.9 t -88.93 119.9 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.67 118.08 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.866 HG22 HG11 ' A' ' 85' ' ' VAL . 29.0 p -112.08 157.29 40.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.14 6.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.54 -173.13 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.44 140.22 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.07 140.55 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -101.86 126.95 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -110.52 142.58 42.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 5.4 m-85 -117.24 101.56 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.98 165.59 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.903 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -44.99 140.06 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 1.3 pt-20 -75.52 -20.16 58.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.42 21.31 16.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.903 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -82.83 112.41 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.1 p-10 -37.92 148.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.546 HG13 ' HG ' ' A' ' 59' ' ' LEU . 18.1 t -47.31 -48.0 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -60.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -48.36 -53.11 18.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.58 -37.06 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.716 ' HA ' HD12 ' A' ' 46' ' ' ILE . 36.0 mttt -68.41 -44.8 74.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -48.67 -51.0 30.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -48.42 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.055 HG23 HD13 ' A' ' 50' ' ' LEU . 15.3 mt -58.9 -58.04 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -44.97 -38.78 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -57.17 -67.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.419 ' HD2' HD12 ' A' ' 50' ' ' LEU . 73.6 t80 -63.15 -67.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.055 HD13 HG23 ' A' ' 46' ' ' ILE . 3.1 mp -39.78 -50.2 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 88.13 28.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 57' ' ' LEU . 7.7 p -110.62 -172.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.28 128.4 44.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -61.89 -36.14 80.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.9 -16.96 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -109.56 6.88 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 86' ' ' VAL . 68.3 mt -100.32 140.71 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG21 ' HD2' ' A' ' 88' ' ' ARG . 16.9 t -129.79 134.13 63.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.882 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -93.47 128.55 39.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.59 106.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.802 ' O ' HG22 ' A' ' 62' ' ' THR . 23.5 t80 -108.91 138.67 44.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.802 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.7 t 52.54 22.65 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.23 89.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -104.68 120.13 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.46 154.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 59' ' ' LEU . 4.9 mt -120.38 -159.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ASP . 10.9 mmt180 -143.83 137.98 28.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -21.76 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.16 -26.61 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ARG . 80.1 m-20 -78.71 145.92 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -91.18 162.97 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.566 ' CD1' HD21 ' A' ' 33' ' ' LEU . 11.1 mt -69.3 -70.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -56.15 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -44.36 -40.52 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 8.3 mmt180 -74.84 -47.83 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.94 -31.76 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 66' ' ' LEU . 22.4 mt -43.08 108.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -110.42 -166.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -79.06 130.81 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 37.52 26.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -104.81 163.57 12.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -117.12 124.7 49.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.882 HG11 ' CD1' ' A' ' 59' ' ' LEU . 11.1 t -123.68 135.54 63.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -87.17 133.57 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.626 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.866 HG11 HG22 ' A' ' 24' ' ' THR . 8.3 p -103.35 147.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.671 ' O ' HD23 ' A' ' 57' ' ' LEU . 10.0 t -138.79 146.61 26.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.7 p -129.85 69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' HD2' HG21 ' A' ' 58' ' ' VAL . 43.3 mtp180 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.533 HG23 ' C ' ' A' ' 33' ' ' LEU . 11.7 mm -81.97 148.77 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -126.37 163.46 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 15.1 ttp180 -96.3 102.77 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -106.69 117.39 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -77.0 112.26 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 85' ' ' VAL . 40.5 t -89.73 119.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -99.99 117.79 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.77 HG22 HG11 ' A' ' 85' ' ' VAL . 12.0 p -111.75 157.42 39.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.49 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.69 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -142.37 -179.99 6.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.0 p -120.9 138.93 53.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -133.77 165.09 25.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.51 110.95 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -97.66 151.97 19.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 19.4 m-85 -130.41 103.61 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.61 165.4 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.681 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -47.56 130.9 14.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.98 -23.06 67.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -113.71 52.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -116.07 117.22 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.444 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.6 p-10 -39.18 157.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG21 ' CB ' ' A' ' 66' ' ' LEU . 16.0 t -55.49 -46.79 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -43.94 -63.46 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.0 mtt-85 -47.42 -53.09 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.16 -40.64 47.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.649 ' HA ' HD12 ' A' ' 46' ' ' ILE . 39.2 mttt -62.66 -48.15 80.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -41.36 -50.6 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.93 65.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.991 HG23 HD13 ' A' ' 50' ' ' LEU . 12.5 mt -63.39 -58.32 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -40.0 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -59.91 -70.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.636 ' HD2' HD12 ' A' ' 50' ' ' LEU . 64.4 t80 -57.44 -59.79 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.991 HD13 HG23 ' A' ' 46' ' ' ILE . 7.4 mp -56.49 -18.16 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 31.5 p80 52.35 53.6 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' SG ' HG11 ' A' ' 87' ' ' VAL . 0.8 OUTLIER -132.91 -176.82 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.24 132.08 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.66 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -73.88 -19.27 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt-85 -108.53 18.04 21.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 86' ' ' VAL . 58.2 mt -111.5 138.57 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.0 t -127.09 137.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.844 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.68 127.59 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.264 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.61 107.6 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.83 ' O ' HG22 ' A' ' 62' ' ' THR . 25.6 t80 -106.81 130.64 54.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.1 t 52.73 19.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.27 -24.69 31.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HD3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -78.62 125.63 29.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.21 149.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 59' ' ' LEU . 6.1 mt -118.98 -178.4 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.8 mtp180 -141.11 148.55 40.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -34.85 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.7 pt20 -89.67 38.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.536 ' C ' HD12 ' A' ' 71' ' ' ILE . 7.1 m-20 -137.14 137.92 39.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -94.84 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 33' ' ' LEU . 1.2 mt -52.64 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -54.64 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -43.8 -50.78 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG3' HD22 ' A' ' 66' ' ' LEU . 56.2 mmt-85 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 142.3 -28.45 2.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 66' ' ' LEU . 38.4 mt -39.73 108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.08 -159.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -82.75 130.13 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.34 41.95 24.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.68 165.77 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -118.07 119.35 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.844 HG11 ' CD1' ' A' ' 59' ' ' LEU . 14.5 t -119.95 130.2 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -82.38 130.93 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.77 HG11 HG22 ' A' ' 24' ' ' THR . 8.7 p -100.62 146.77 8.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.616 ' O ' HD23 ' A' ' 57' ' ' LEU . 9.1 t -136.89 147.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.468 HG11 ' SG ' ' A' ' 52' ' ' CYS . 2.8 t -133.95 59.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.8 mm -93.33 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.26 159.22 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 2.7 ttt180 -92.36 102.54 15.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.24 118.92 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.63 ' OG ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -75.43 128.71 35.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 31' ' ' PHE . 43.1 t -108.34 119.76 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 85' ' ' VAL . 8.8 tptt -105.1 117.33 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.828 HG22 HG11 ' A' ' 85' ' ' VAL . 6.7 p -110.4 157.51 37.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.526 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 18.1 Cg_endo -75.03 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 70.4 mt-30 -160.84 -57.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -175.41 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.45 126.68 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.94 160.94 34.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -127.42 134.65 49.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 22' ' ' VAL . 7.3 m-85 -116.02 163.07 16.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 21.5 m-85 -138.97 102.46 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.75 165.16 26.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.79 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -41.16 135.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -70.06 -16.14 63.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -116.82 40.54 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -100.03 115.46 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.5 p-10 -38.63 153.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.86 HG12 ' HD2' ' A' ' 43' ' ' LYS . 18.5 t -52.32 -42.93 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -47.96 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 20.9 mtt-85 -41.82 -54.69 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 59' ' ' LEU . 2.0 t80 -49.64 -39.26 35.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.86 ' HD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mttt -65.58 -43.85 88.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -52.17 -54.31 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -38.81 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.005 HG23 HD13 ' A' ' 50' ' ' LEU . 43.2 mt -67.09 -44.75 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 6.2 p -57.06 -41.47 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.15 -44.09 31.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' HD2' HD12 ' A' ' 50' ' ' LEU . 59.2 t80 -91.25 -65.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.005 HD13 HG23 ' A' ' 46' ' ' ILE . 6.7 mp -46.28 -26.48 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 3.9 p80 39.97 54.05 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.439 ' HB3' ' CG1' ' A' ' 87' ' ' VAL . 1.2 m -140.17 33.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' CYS . 86.8 m-20 61.64 139.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -85.95 -20.98 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.31 -24.93 66.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -102.92 12.25 36.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 54' ' ' ALA . 77.2 mt -100.0 142.39 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.818 HG21 ' HD2' ' A' ' 88' ' ' ARG . 48.3 t -130.19 125.83 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.01 127.09 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.4 mp -137.76 106.83 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.568 ' CD1' HG13 ' A' ' 77' ' ' ILE . 10.0 t80 -112.94 113.07 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.6 -1.01 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.43 30.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -95.21 126.08 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.8 133.3 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 59' ' ' LEU . 8.0 mt -94.61 -170.97 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.5 mmt180 -139.63 133.95 31.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -29.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -91.23 38.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.8 m-20 -143.08 138.37 29.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.4 mp -88.97 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD11 HD21 ' A' ' 33' ' ' LEU . 41.8 mt -48.1 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -44.6 -49.22 10.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' H ' HG22 ' A' ' 71' ' ' ILE . 19.9 mt-30 -49.39 -45.21 45.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HG3' HD22 ' A' ' 66' ' ' LEU . 17.8 mmt180 -69.37 -43.96 72.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.09 -28.67 1.0 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.568 HG13 ' CD1' ' A' ' 61' ' ' PHE . 24.5 mt -45.11 112.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.7 tp -117.0 -167.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 120.44 17.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.23 51.66 4.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.0 m -115.32 157.44 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.63 HG23 ' OG ' ' A' ' 21' ' ' SER . 93.8 m -110.35 121.88 46.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 59' ' ' LEU . 12.4 t -120.24 132.22 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -86.4 129.64 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.828 HG11 HG22 ' A' ' 24' ' ' THR . 6.1 p -97.97 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.731 ' O ' HD23 ' A' ' 57' ' ' LEU . 13.7 t -143.15 148.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 50' ' ' LEU . 25.5 t -125.52 67.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.818 ' HD2' HG21 ' A' ' 58' ' ' VAL . 14.9 mtp85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.1 mm -75.38 153.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 35' ' ' GLU . 8.1 pt -136.56 153.65 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 15.4 ttp-105 -91.74 102.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.21 123.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -81.81 108.52 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' HB ' ' A' ' 85' ' ' VAL . 25.2 t -88.64 119.78 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.5 116.91 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.617 HG22 HG11 ' A' ' 85' ' ' VAL . 3.8 p -112.72 160.11 31.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.4 Cg_endo -75.0 47.79 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.789 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.82 -56.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.45 -177.0 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.6 p -109.7 139.38 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.64 110.35 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.67 130.89 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.28 170.22 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -139.15 100.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.47 165.49 25.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.731 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -44.99 138.63 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.2 pt-20 -76.56 -15.93 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.45 12.14 23.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.731 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -75.47 111.32 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -38.23 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.903 HG12 ' HD2' ' A' ' 43' ' ' LYS . 42.4 t -48.5 -52.67 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.59 -63.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -44.43 -55.26 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.59 -42.98 45.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.903 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -61.16 -45.21 95.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.21 -47.08 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.86 -35.73 24.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.919 HG23 HD13 ' A' ' 50' ' ' LEU . 8.2 mt -72.99 -44.92 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 p -56.56 -22.43 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -70.94 -57.62 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.721 ' HD2' HD12 ' A' ' 50' ' ' LEU . 51.6 t80 -78.85 -70.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.919 HD13 HG23 ' A' ' 46' ' ' ILE . 5.7 mp -42.74 -28.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 84.8 m-70 61.64 50.56 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -122.75 -166.63 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.55 121.41 44.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.708 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -55.19 -26.96 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -25.49 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -102.17 3.26 38.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 86' ' ' VAL . 75.5 mt -98.1 140.74 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.6 131.23 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.808 ' HG ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -91.25 128.06 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.5 mp -137.76 118.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.609 ' O ' HG22 ' A' ' 62' ' ' THR . 33.4 t80 -121.85 113.63 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 80.53 1.81 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.49 45.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -99.12 118.66 36.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.46 146.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.599 HD22 ' HG3' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -116.15 176.78 4.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 22.1 mmt180 -119.84 159.34 24.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.79 -32.6 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -80.97 5.42 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 39' ' ' VAL . 96.0 m-20 -104.8 134.15 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -88.55 138.61 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD11 HD21 ' A' ' 33' ' ' LEU . 20.8 mt -43.95 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -47.85 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 71' ' ' ILE . 25.5 mt-30 -51.99 -41.5 62.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HG3' HD22 ' A' ' 66' ' ' LEU . 10.9 mmt180 -75.13 -32.23 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.49 -30.75 2.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 48.6 mt -42.98 109.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.22 -166.32 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.26 122.66 24.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.46 48.69 5.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -114.28 163.24 15.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -113.75 132.83 55.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.735 HG11 ' CD1' ' A' ' 59' ' ' LEU . 36.7 t -133.46 136.24 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -89.0 130.03 35.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.617 HG11 HG22 ' A' ' 24' ' ' THR . 8.6 p -100.21 151.04 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.788 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.6 t -137.5 158.23 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 87' ' ' VAL . 13.1 p -148.37 55.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.488 HG23 ' C ' ' A' ' 33' ' ' LEU . 6.4 mm -89.07 161.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 pt -138.55 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 62.9 ttp85 -117.93 102.75 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 83' ' ' VAL . 48.0 t -107.84 125.34 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' SER . 14.9 m -82.24 109.63 16.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG13 ' HB ' ' A' ' 85' ' ' VAL . 43.3 t -86.81 120.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.6 tppt? -102.44 117.66 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.748 HG22 HG11 ' A' ' 85' ' ' VAL . 8.7 p -110.36 157.98 36.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.57 6.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 173.94 -53.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -143.1 179.07 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -118.24 141.45 48.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 166.19 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.09 135.32 53.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -124.58 142.19 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 56.7 m-85 -123.46 101.04 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.52 165.7 25.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.044 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -47.21 131.02 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -67.73 -21.82 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.64 25.18 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 1.044 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 22.0 m -88.71 111.99 22.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -37.23 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.878 HG12 ' HD2' ' A' ' 43' ' ' LYS . 13.8 t -46.44 -44.82 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -64.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.427 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 18.9 mtt180 -44.08 -55.24 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.52 -36.61 23.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.878 ' HD2' HG12 ' A' ' 39' ' ' VAL . 1.7 mttt -70.77 -43.53 68.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 39.8 mttt -47.44 -39.73 16.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -47.0 86.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.729 HG21 HG21 ' A' ' 85' ' ' VAL . 17.9 mt -63.14 -54.89 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -29.77 33.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.33 -66.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 19.9 t80 -60.35 -51.54 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.69 HD22 ' CG2' ' A' ' 46' ' ' ILE . 7.2 mp -65.67 -13.4 59.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER 39.57 53.63 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' SG ' HG11 ' A' ' 87' ' ' VAL . 1.5 m -115.8 -97.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.84 127.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -13.15 56.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 5.0 t70 -75.61 -25.14 56.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -109.84 19.32 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 86' ' ' VAL . 35.5 mt -109.24 129.16 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG12 HD11 ' A' ' 60' ' ' ILE . 29.0 t -121.48 135.98 59.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.793 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.11 126.23 42.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 58' ' ' VAL . 3.6 mp -138.56 108.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.8 ' O ' HG22 ' A' ' 62' ' ' THR . 32.5 t80 -108.31 138.48 44.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.8 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.0 t 52.35 20.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 -8.43 79.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -98.54 123.88 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.54 148.31 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD12 HD12 ' A' ' 59' ' ' LEU . 25.2 mt -109.91 -159.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -152.14 140.34 20.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -48.48 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -65.6 -25.73 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.602 ' O ' HG23 ' A' ' 39' ' ' VAL . 88.1 m-20 -82.41 135.08 35.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.3 mp -87.61 164.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 33' ' ' LEU . 14.2 mt -68.25 -70.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -44.61 -55.65 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.08 -46.54 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HG3' HD22 ' A' ' 66' ' ' LEU . 7.4 mmt180 -65.82 -38.03 87.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.22 -31.2 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 18.7 mt -41.06 114.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.4 tp -120.55 -167.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.99 119.78 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.21 3.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -112.68 147.06 37.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.7 m -103.18 111.12 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.793 HG11 ' CD1' ' A' ' 59' ' ' LEU . 19.8 t -113.83 130.89 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.13 130.21 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.748 HG11 HG22 ' A' ' 24' ' ' THR . 4.9 p -101.51 149.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.721 ' O ' HD23 ' A' ' 57' ' ' LEU . 9.0 t -138.63 147.0 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.467 HG11 ' SG ' ' A' ' 52' ' ' CYS . 7.3 t -127.69 64.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 55' ' ' ASP . 11.3 mtm105 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.521 HG23 ' CA ' ' A' ' 33' ' ' LEU . 13.2 mm -80.19 158.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -140.76 155.25 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 3.8 ttm180 -92.27 102.87 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.9 127.06 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m -83.56 111.12 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' HIS . 39.6 t -90.55 120.21 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -100.55 117.73 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.84 HG22 HG11 ' A' ' 85' ' ' VAL . 16.7 p -110.82 156.77 40.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.38 5.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.3 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.9 -175.05 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 p -124.14 139.68 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.744 ' CE1' ' CE1' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -140.58 156.06 46.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.556 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.25 125.6 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -112.24 152.6 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 28.8 m-85 -125.1 101.85 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.26 164.45 28.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . -41.25 137.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.71 -28.84 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -95.57 -8.88 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.817 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -53.09 119.36 4.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -45.04 155.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.855 HG13 ' HG ' ' A' ' 59' ' ' LEU . 16.2 t -54.13 -51.61 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.28 -59.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -47.89 -54.12 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.95 -42.62 48.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.789 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.22 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -49.46 -50.8 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -33.67 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 43' ' ' LYS . 22.0 mt -74.83 -42.09 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 p -64.82 -22.75 67.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -73.94 -66.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 62.6 t80 -55.53 -73.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.775 HD23 HG23 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER 87.69 27.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.05 -166.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.37 114.5 28.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -50.08 -41.84 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -26.55 27.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -103.04 13.83 33.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 54' ' ' ALA . 95.4 mt -104.95 144.39 31.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG21 ' HD2' ' A' ' 88' ' ' ARG . 21.2 t -130.21 140.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.855 ' HG ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -97.07 127.52 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.94 108.11 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CD1' HG13 ' A' ' 77' ' ' ILE . 31.6 t80 -109.72 109.74 20.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.17 -1.86 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.17 -19.73 13.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.85 125.03 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.45 137.73 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -104.96 -178.58 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.06 160.44 23.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -65.77 -47.0 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -65.9 -10.18 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 39' ' ' VAL . 92.3 m-20 -93.19 135.08 34.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -85.25 164.56 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.623 HD11 HD21 ' A' ' 33' ' ' LEU . 16.4 mt -67.8 -70.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' GLY . 28.0 p -46.18 -56.26 5.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -46.39 -35.68 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' CG ' HD22 ' A' ' 66' ' ' LEU . 6.9 mmt180 -81.46 -27.6 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 134.66 -37.02 2.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 61' ' ' PHE . 28.6 mt -40.47 112.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.27 -168.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 124.77 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.59 51.04 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.8 m -112.88 158.14 20.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -112.24 123.14 49.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.3 t -124.18 130.01 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -81.9 130.91 35.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.84 HG11 HG22 ' A' ' 24' ' ' THR . 6.1 p -102.29 149.79 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.0 t -142.08 153.57 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.25 67.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.532 ' HD2' HG21 ' A' ' 58' ' ' VAL . 1.2 mtp85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.48 HG23 ' CA ' ' A' ' 33' ' ' LEU . 8.1 mm -90.86 157.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.3 pt -139.77 153.5 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 18.8 ttt180 -92.41 102.57 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.24 118.68 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -75.65 110.31 9.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.422 HG13 ' HB ' ' A' ' 85' ' ' VAL . 40.2 t -89.98 120.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.81 117.76 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.741 HG22 HG11 ' A' ' 85' ' ' VAL . 8.1 p -112.6 157.94 38.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 179.47 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.85 -175.84 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 p -123.76 138.07 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -133.69 164.87 26.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -127.43 113.88 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -101.17 150.81 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.542 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 23.8 m-85 -127.95 101.59 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.772 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.71 165.66 25.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.6 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.62 140.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 6.0 pt-20 -77.33 -11.92 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -111.38 0.19 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -62.79 111.63 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -39.19 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.764 HG12 ' HD2' ' A' ' 43' ' ' LYS . 5.3 t -53.17 -51.78 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -39.14 -58.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -50.67 -54.14 25.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -50.37 -33.54 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.764 ' HD2' HG12 ' A' ' 39' ' ' VAL . 5.0 mttt -72.46 -44.16 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -50.13 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -43.95 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.101 HG23 HD13 ' A' ' 50' ' ' LEU . 14.5 mt -64.39 -54.53 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 p -46.95 -34.32 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -64.06 -68.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.577 ' HD2' HD12 ' A' ' 50' ' ' LEU . 62.3 t80 -60.13 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.101 HD13 HG23 ' A' ' 46' ' ' ILE . 6.4 mp -44.59 -27.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 81.3 m-70 65.0 50.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.671 ' SG ' HD21 ' A' ' 57' ' ' LEU . 24.4 p -132.23 -170.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -99.46 135.54 40.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -68.3 -16.8 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.27 -16.15 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -111.92 4.03 17.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 86' ' ' VAL . 87.1 mt -96.05 138.46 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.7 t -130.04 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -97.49 129.4 44.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.92 106.91 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 33.4 t80 -111.17 109.64 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 85.09 -32.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.02 -18.89 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -87.4 117.75 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.36 128.69 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 59' ' ' LEU . 16.8 mt -81.06 -149.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -139.61 -92.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -172.9 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -84.85 9.94 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . 1.5 m-20 -98.2 141.99 30.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -90.09 139.48 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD11 HD21 ' A' ' 33' ' ' LEU . 23.1 mt -52.11 -70.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 t -42.0 -46.77 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 71' ' ' ILE . 3.7 mt-30 -50.41 -55.94 13.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' HD22 ' A' ' 66' ' ' LEU . 46.2 mmt-85 -60.4 -38.23 83.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.91 -22.66 2.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.575 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 39.5 mt -47.69 105.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tp -108.6 -161.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.6 137.52 36.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.26 33.7 68.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -98.59 163.74 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.776 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -114.26 130.33 56.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.726 HG11 ' CD1' ' A' ' 59' ' ' LEU . 22.5 t -131.26 129.19 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -82.65 133.49 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.741 HG11 HG22 ' A' ' 24' ' ' THR . 8.6 p -103.13 153.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.785 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.1 t -142.59 155.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG22 ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -145.57 57.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 p -124.18 163.45 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -149.22 169.61 20.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.95 -172.7 16.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.98 127.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.59 166.76 19.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.45 174.65 26.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.77 104.98 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.1 m -79.86 109.78 14.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.43 101.07 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -110.37 -49.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -171.02 156.38 4.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.77 -59.8 2.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.57 168.12 20.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.92 113.09 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.438 HD13 ' N ' ' A' ' 34' ' ' ALA . 2.7 mm -73.23 151.57 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.5 pt -134.43 156.18 40.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 16.3 ttp180 -93.49 102.82 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 HG23 ' A' ' 83' ' ' VAL . 87.3 t -103.84 116.52 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 m -75.17 110.36 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' HIS . 44.1 t -88.46 121.45 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.35 117.66 34.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.945 HG22 HG11 ' A' ' 85' ' ' VAL . 63.6 p -110.3 159.16 33.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 18.3 Cg_endo -74.98 68.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER 166.69 -61.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -130.96 -169.78 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -128.18 144.45 51.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 108.327 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.3 t60 -140.53 156.95 46.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.45 127.41 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -113.47 142.16 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 15.2 m-85 -121.75 102.2 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.53 165.58 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.688 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -52.19 127.31 21.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.65 -23.82 67.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 41.7 p-10 -99.32 37.19 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.688 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 19.2 m -104.02 111.51 24.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 1.1 p-10 -39.74 149.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.861 HG12 ' HD2' ' A' ' 43' ' ' LYS . 18.7 t -43.42 -45.69 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -48.52 -67.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 19.4 mtt-85 -38.61 -56.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -49.36 -42.24 41.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.861 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -60.56 -54.48 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -43.81 -48.32 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.93 -38.9 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.101 HG23 HD13 ' A' ' 50' ' ' LEU . 8.5 mt -72.18 -47.38 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.1 p -55.28 -27.9 49.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -68.64 -53.92 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HD12 ' A' ' 50' ' ' LEU . 61.6 t80 -75.77 -66.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.101 HD13 HG23 ' A' ' 46' ' ' ILE . 6.6 mp -45.68 -26.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 88.8 m-70 64.54 32.8 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' A' ' 57' ' ' LEU . 14.1 p -106.16 -153.3 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.2 m-80 -117.92 128.66 55.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -67.65 -12.48 60.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -115.42 -2.85 12.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 86' ' ' VAL . 77.9 mt -84.75 142.34 29.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 t -130.14 133.23 64.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.713 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.86 129.11 37.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.63 109.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 24.7 t80 -115.27 113.52 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.43 1.08 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.6 -16.58 31.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -92.64 127.47 38.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -73.21 138.5 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.696 HD12 HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -102.88 -175.43 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.0 mmt180 -130.58 138.73 50.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.22 -26.98 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -90.88 34.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 39' ' ' VAL . 7.0 m-20 -141.54 134.26 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.5 mp -80.99 162.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.725 HD11 HD21 ' A' ' 33' ' ' LEU . 22.2 mt -69.45 -70.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.67 -57.19 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -44.59 -42.44 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 10.8 mmt180 -71.53 -37.26 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.03 -23.79 2.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.571 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 27.0 mt -50.17 108.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.45 -165.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -78.38 125.03 28.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.51 41.96 8.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 m -105.68 164.32 12.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -116.53 123.67 47.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.364 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.713 HG11 ' CD1' ' A' ' 59' ' ' LEU . 22.0 t -123.02 133.22 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -85.9 131.87 34.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.945 HG11 HG22 ' A' ' 24' ' ' THR . 8.2 p -101.44 151.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.791 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.4 t -143.07 154.31 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -135.41 65.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.86 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -157.34 116.75 3.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.86 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.634 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.6 t -179.06 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 137.95 174.65 13.48 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.462 1.77 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.9 t -83.36 164.98 19.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.89 106.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.81 97.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 0.794 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.0 p -170.4 133.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.71 179.82 22.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -171.25 131.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.25 160.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.62 101.33 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -114.83 129.23 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m 49.28 90.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.01 123.57 5.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.29 107.51 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -141.54 152.59 63.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 73.5 4.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.7 80.67 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -51.23 170.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.5 131.51 47.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.5 mm -86.29 160.08 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.5 176.68 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' NE ' ' OE1' ' A' ' 30' ' ' GLU . 9.7 ttt180 -107.79 102.79 11.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.4 t -106.86 120.39 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 m -85.59 108.85 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.575 HG13 ' HB ' ' A' ' 85' ' ' VAL . 18.6 t -89.23 120.63 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.83 117.8 31.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.827 HG22 HG11 ' A' ' 85' ' ' VAL . 19.9 p -109.93 159.36 32.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 62.38 5.83 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -49.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.32 -168.07 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 p -122.89 144.48 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -144.6 105.64 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.62 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 4.6 mt-10 -73.89 131.32 41.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 29' ' ' HIS . 68.1 m-85 -113.64 167.32 10.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -139.04 102.0 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.836 HD21 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.67 165.35 25.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.681 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -47.51 131.18 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -68.07 -8.3 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.77 39.04 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -102.65 116.73 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.1 p-10 -38.8 152.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.711 HG12 ' HD2' ' A' ' 43' ' ' LYS . 6.9 t -48.52 -46.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 41' ' ' ARG . 1.2 ttt180 -47.23 -65.82 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ARG . 15.4 mtt180 -39.16 -57.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CE2' HD11 ' A' ' 59' ' ' LEU . 2.4 t80 -47.86 -44.14 29.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.711 ' HD2' HG12 ' A' ' 39' ' ' VAL . 14.6 mttt -61.14 -44.43 97.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -45.26 -54.21 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -40.74 52.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.807 ' CG2' HD22 ' A' ' 50' ' ' LEU . 13.9 mt -70.75 -51.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 p -51.1 -21.79 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -76.63 -70.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.415 ' CD2' HD12 ' A' ' 50' ' ' LEU . 16.3 t80 -54.62 -52.53 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.807 HD22 ' CG2' ' A' ' 46' ' ' ILE . 3.8 mp -70.22 -7.62 43.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.6 p80 41.22 56.52 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.589 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -129.39 -174.62 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.17 129.96 43.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.02 -15.97 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.43 -15.7 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -6.1 15.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 86' ' ' VAL . 84.0 mt -86.91 142.17 28.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' HD2' ' A' ' 88' ' ' ARG . 18.8 t -130.02 139.46 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.953 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -99.28 127.6 45.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mp -137.56 106.92 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 62' ' ' THR . 10.2 t80 -112.18 112.81 24.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.48 -2.76 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.09 0.59 30.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.14 126.0 50.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.1 mt -70.38 130.58 34.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.953 HD12 HD12 ' A' ' 59' ' ' LEU . 8.4 mt -94.92 -170.61 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.9 mmt180 -141.7 136.86 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -28.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -90.41 34.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.7 m-20 -142.0 138.49 31.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -86.88 158.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.836 ' CD1' HD21 ' A' ' 33' ' ' LEU . 26.3 mt -67.31 -70.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -46.49 -54.55 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.62 -44.98 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.422 ' NE ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 mmt180 -68.06 -42.01 81.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.84 -31.21 1.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.567 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 22.3 mt -46.49 110.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tp -112.33 -165.96 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.57 126.34 30.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.19 46.76 9.84 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 m -110.7 158.4 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 m -108.19 131.59 54.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 59' ' ' LEU . 11.8 t -132.94 128.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -82.01 134.26 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.58 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.827 HG11 HG22 ' A' ' 24' ' ' THR . 9.8 p -104.03 149.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.605 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.7 t -141.01 152.11 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.7 p -135.95 68.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD2' HG21 ' A' ' 58' ' ' VAL . 2.7 mtt85 -39.84 141.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -148.41 155.14 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.7 m80 69.15 161.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.605 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 t -140.88 96.69 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.21 -145.8 18.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.511 1.795 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 p -45.45 109.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -151.51 137.45 18.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.05 -58.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.2 -58.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.97 -102.3 0.39 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 57.52 83.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 0.747 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -153.07 156.17 38.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.19 100.32 0.13 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.46 141.23 46.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.7 p -66.27 146.06 55.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 83.69 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.57 144.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.1 151.32 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 121.53 6.65 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.19 -56.72 3.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.59 130.27 3.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.66 115.54 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.605 HD13 ' HA ' ' A' ' 34' ' ' ALA . 11.5 mm -77.73 128.1 38.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 35' ' ' GLU . 14.6 pt -105.98 164.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 ttp85 -106.88 102.58 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.84 126.5 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.1 m -79.44 109.38 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 31' ' ' PHE . 39.7 t -87.56 120.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.537 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -98.43 117.75 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.856 HG22 HG11 ' A' ' 85' ' ' VAL . 34.5 p -111.84 157.92 38.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 60.5 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.541 1.811 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 179.29 -51.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.82 -174.42 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.44 137.89 54.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 108.345 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.21 137.49 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -99.57 126.84 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 22' ' ' VAL . 20.5 m-85 -107.17 153.32 22.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 19.9 m-85 -127.49 101.78 6.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.742 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.76 165.51 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.605 ' HA ' HD13 ' A' ' 17' ' ' ILE . . . -48.63 135.45 14.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.628 ' HB3' HG23 ' A' ' 18' ' ' ILE . 17.6 pt-20 -74.01 -4.54 35.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.24 29.06 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.17 123.2 38.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.1 155.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 43' ' ' LYS . 15.6 t -50.07 -47.12 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -45.88 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -42.97 -54.66 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.43 -39.19 46.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.862 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.81 -45.44 82.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -50.92 -49.71 59.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.72 -34.08 17.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.08 HG23 HD13 ' A' ' 50' ' ' LEU . 11.3 mt -74.95 -43.6 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.2 p -58.63 -18.95 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.98 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -53.78 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.746 ' HD2' HD12 ' A' ' 50' ' ' LEU . 75.4 t80 -80.9 -68.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.08 HD13 HG23 ' A' ' 46' ' ' ILE . 5.9 mp -42.51 -31.26 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 78.9 m-70 64.54 48.43 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.6 m -127.89 172.12 11.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.353 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.73 126.26 32.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.51 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.99 -15.01 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.21 -17.94 61.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -113.5 5.49 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 86' ' ' VAL . 54.3 mt -91.19 142.31 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.19 135.24 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.745 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -96.79 129.01 44.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.438 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.6 mp -137.94 114.95 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.793 ' O ' HG22 ' A' ' 62' ' ' THR . 35.3 t80 -116.79 137.49 52.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.29 20.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.68 77.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' PHE . 9.2 mmmt -95.71 123.59 39.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.27 148.16 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 59' ' ' LEU . 5.4 mt -115.24 -169.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -143.36 143.38 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -31.73 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.419 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 17.0 pt20 -90.13 36.21 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' C ' HD12 ' A' ' 71' ' ' ILE . 12.2 m-20 -140.24 143.65 36.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -90.94 162.5 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.563 ' CD1' HD21 ' A' ' 33' ' ' LEU . 1.3 mt -75.89 -69.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -54.19 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -43.59 -55.02 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 66' ' ' LEU . 47.2 mmt-85 -61.32 -40.19 93.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.52 -29.07 1.62 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.521 HG13 ' CG ' ' A' ' 61' ' ' PHE . 40.3 mt -40.84 106.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.34 -164.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -76.84 130.93 38.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.37 42.72 33.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -104.43 163.0 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.9 m -115.6 123.04 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.745 HG11 ' CD1' ' A' ' 59' ' ' LEU . 41.0 t -124.43 136.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -89.12 131.51 35.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.571 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.856 HG11 HG22 ' A' ' 24' ' ' THR . 9.9 p -100.21 149.47 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.698 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.6 t -141.02 151.57 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.625 HG22 ' CD2' ' A' ' 57' ' ' LEU . 12.5 t -135.75 69.13 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.75 145.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.85 137.12 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 93' ' ' PRO . 11.3 t-160 -127.81 85.11 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.618 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.49 95.1 8.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 105.11 2.97 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' HA ' ' CE1' ' A' ' 90' ' ' HIS . 18.3 Cg_endo -74.98 120.84 6.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 m 63.49 117.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.0 m 63.81 81.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -169.35 168.76 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -134.58 101.31 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.5 141.02 11.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -134.28 78.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.8 92.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -149.08 94.03 0.15 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 7' ' ' GLY . 7.1 m 44.89 -167.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -95.56 166.78 11.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.47 160.01 1.47 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.77 159.84 40.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 110.353 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 58.66 163.76 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 72.01 4.82 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.65 102.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.9 m -65.03 161.6 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.957 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 107.63 19.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.491 HD13 ' N ' ' A' ' 34' ' ' ALA . 5.6 mm -67.86 135.49 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 15.2 pt -117.31 157.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 4.6 ttt180 -98.79 102.64 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.9 t -102.75 119.91 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -75.02 111.7 10.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' HB ' ' A' ' 85' ' ' VAL . 30.3 t -91.3 120.14 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.66 117.97 35.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.84 HG22 HG11 ' A' ' 85' ' ' VAL . 20.0 p -110.12 158.28 35.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 61.02 5.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 176.96 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.24 -173.93 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.2 p -124.33 138.86 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 108.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.21 136.82 32.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.641 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -97.88 135.4 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -115.98 163.12 16.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 17.4 m-85 -135.93 102.17 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.76 165.54 25.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.769 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -53.23 130.17 33.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 10.6 pt-20 -64.53 -19.15 65.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -107.79 40.62 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.769 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 16.5 m -107.79 113.3 26.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.7 p-10 -38.97 154.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.882 HG12 ' HD2' ' A' ' 43' ' ' LYS . 23.1 t -52.31 -45.68 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.69 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 14.9 mtt180 -44.41 -54.37 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.72 -40.27 39.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.882 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -63.95 -48.21 77.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -49.08 -50.14 38.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -37.13 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.028 HG23 HD13 ' A' ' 50' ' ' LEU . 12.3 mt -70.92 -46.63 66.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -56.83 -22.97 40.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -69.97 -51.59 31.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.628 ' HD2' HD12 ' A' ' 50' ' ' LEU . 72.0 t80 -82.08 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.028 HD13 HG23 ' A' ' 46' ' ' ILE . 5.9 mp -44.31 -27.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 87.8 m-70 65.16 31.35 10.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.8 m -109.61 -173.18 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.279 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -97.56 125.84 42.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -64.23 -13.75 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.75 -15.78 59.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.82 -4.52 14.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 86' ' ' VAL . 78.3 mt -82.72 140.54 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.26 131.63 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.848 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -90.47 125.69 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -138.38 106.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.813 ' O ' HG22 ' A' ' 62' ' ' THR . 29.6 t80 -108.01 136.03 48.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.6 t 52.62 21.91 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.99 -4.0 86.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.61 118.14 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.58 134.15 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.848 HD12 HD12 ' A' ' 59' ' ' LEU . 45.1 mt -94.83 -166.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 10.7 mmt180 -142.94 140.97 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -52.95 -36.66 60.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -80.86 3.85 21.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 39' ' ' VAL . 67.0 m-20 -113.97 135.36 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -80.45 164.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.575 ' CD1' HD21 ' A' ' 33' ' ' LEU . 3.0 mt -70.79 -68.98 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' GLY . 41.0 t -48.55 -58.03 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -43.27 -36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -78.18 -39.09 41.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 149.73 -33.0 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.656 HD11 HD11 ' A' ' 66' ' ' LEU . 37.0 mt -43.12 108.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.94 -167.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 127.96 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.72 45.61 16.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 m -108.4 170.1 8.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.028 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -117.58 132.91 56.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 59' ' ' LEU . 41.0 t -134.88 137.77 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -90.55 131.12 36.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.84 HG11 HG22 ' A' ' 24' ' ' THR . 9.8 p -101.13 152.58 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.768 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.2 t -143.1 152.17 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.4 p -136.45 68.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' VAL . 10.2 mtp180 -38.66 131.36 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 173.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -141.75 121.52 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.36 149.04 37.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.1 -81.11 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.72 6.89 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.91 -58.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -120.46 115.4 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.92 107.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.16 153.94 12.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.11 146.99 50.71 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -116.55 -58.37 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.13 160.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.48 124.72 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.9 m 40.59 56.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.3 m -110.67 162.84 14.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.24 151.49 15.31 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -78.72 152.7 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 58.67 156.25 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.77 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.4 p -89.93 115.9 27.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.491 ' CB ' ' OD1' ' A' ' 36' ' ' ASN . 0.3 OUTLIER 60.33 176.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.33 129.2 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 34' ' ' ALA . 17.7 mm -85.84 156.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 35' ' ' GLU . 7.3 pt -139.71 154.42 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.9 ttt180 -90.75 102.94 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.24 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.87 121.15 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -76.64 109.82 10.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -89.41 119.99 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -99.37 117.53 34.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.93 HG22 HG11 ' A' ' 85' ' ' VAL . 54.4 p -108.54 159.36 31.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 64.26 6.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 170.97 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.09 -168.22 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 p -128.13 140.65 51.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 108.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -134.96 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.563 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.71 120.66 29.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -107.66 153.64 22.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 28.1 m-85 -131.05 101.62 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 165.54 25.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.652 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.43 136.55 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 18' ' ' ILE . 9.7 pt-20 -74.75 -16.79 60.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -113.61 28.61 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.573 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -87.38 155.69 19.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.026 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -78.25 153.42 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 70' ' ' ASP . 7.0 t -51.74 -45.07 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -66.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.8 mtt-85 -45.95 -53.43 9.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.5 t80 -50.29 -35.84 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.833 ' HA ' HD12 ' A' ' 46' ' ' ILE . 46.2 mttt -71.17 -44.14 66.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -47.14 -48.15 23.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -42.61 68.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.066 HG23 HD13 ' A' ' 50' ' ' LEU . 9.0 mt -66.73 -52.67 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -51.63 -28.09 13.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -68.51 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.671 ' HD2' HD12 ' A' ' 50' ' ' LEU . 54.3 t80 -70.39 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.066 HD13 HG23 ' A' ' 46' ' ' ILE . 6.6 mp -50.2 -23.61 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 75.0 m-70 59.25 51.06 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.56 ' SG ' HD21 ' A' ' 57' ' ' LEU . 8.7 p -129.49 -174.11 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.4 133.42 42.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -11.98 60.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -76.69 -18.56 58.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -111.7 2.32 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 86' ' ' VAL . 64.5 mt -92.86 137.13 32.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.619 HG21 ' HD2' ' A' ' 88' ' ' ARG . 21.4 t -130.46 136.57 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.815 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.63 130.28 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.5 107.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 62' ' ' THR . 30.1 t80 -111.42 109.91 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 86.0 -19.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.16 -12.82 4.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -94.62 123.03 37.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.94 142.88 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.768 HD12 HD12 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -112.82 171.16 7.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' ASP . 8.7 mmt180 -123.74 149.22 45.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -43.47 -54.15 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 25.3 pt20 -54.85 -33.23 61.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.9 m-20 -71.48 134.59 46.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -90.41 164.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.618 ' CD1' HD21 ' A' ' 33' ' ' LEU . 18.8 mt -73.69 -70.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.62 -53.86 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.054 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -44.23 -58.19 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.675 ' HG3' HD22 ' A' ' 66' ' ' LEU . 35.8 mmt-85 -57.22 -33.81 67.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 139.68 -30.34 2.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 61' ' ' PHE . 48.0 mt -39.85 105.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -115.77 -163.06 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.61 132.53 42.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.31 41.71 44.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -107.45 157.15 18.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -111.9 124.49 52.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.815 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -124.37 129.69 73.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -84.7 130.0 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.93 HG11 HG22 ' A' ' 24' ' ' THR . 7.0 p -101.45 151.09 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.728 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.2 t -142.75 152.25 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.81 71.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.619 ' HD2' HG21 ' A' ' 58' ' ' VAL . 2.5 mtp85 -39.78 155.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.356 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -151.92 -55.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -160.71 66.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -68.02 118.91 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.18 -86.05 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.17 4.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.4 p -149.12 106.74 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.83 -59.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p -162.91 124.73 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.36 127.27 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.19 -137.87 5.37 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.414 1.072 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.28 143.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 0.784 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -130.82 113.29 13.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' SER . . . 164.28 -96.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.9 t 67.47 -72.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' GLY . 3.3 m 55.81 85.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.7 128.1 8.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 153.97 39.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 0.795 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -173.33 151.32 2.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -34.68 3.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 t 62.63 148.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.499 ' CB ' ' OD1' ' A' ' 36' ' ' ASN . 14.7 m -83.03 175.48 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 120.8 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 34' ' ' ALA . 10.1 mm -82.34 157.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 35' ' ' GLU . 8.2 pt -135.8 -178.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.7 ttp180 -114.28 102.9 10.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 t -110.76 122.95 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -85.01 110.37 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.642 HG13 ' HB ' ' A' ' 85' ' ' VAL . 30.6 t -89.34 120.43 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.88 117.81 31.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.782 HG22 HG11 ' A' ' 85' ' ' VAL . 9.0 p -109.72 158.66 34.18 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 61.79 5.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.8 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.27 -171.91 4.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -121.18 142.75 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.25 105.68 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.63 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -74.41 130.89 40.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -114.13 165.85 12.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 m-85 -139.07 101.84 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.78 165.39 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . -40.81 137.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.523 ' HB3' HG23 ' A' ' 18' ' ' ILE . 1.7 pt-20 -77.36 -20.65 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.499 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 0.6 OUTLIER -111.47 27.3 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.895 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -87.59 154.1 20.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.023 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 4.2 p-10 -76.01 152.76 36.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 70' ' ' ASP . 4.4 t -51.53 -49.77 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -40.56 -61.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.7 mtt-85 -49.39 -52.54 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.88 -35.21 31.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' ILE . 31.2 mttt -70.23 -44.92 67.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -48.07 -49.74 30.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -44.27 64.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.009 HG23 HD13 ' A' ' 50' ' ' LEU . 11.3 mt -64.49 -53.96 36.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.16 -36.91 6.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -55.86 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' HD2' HD12 ' A' ' 50' ' ' LEU . 63.4 t80 -62.24 -60.18 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.009 HD13 HG23 ' A' ' 46' ' ' ILE . 7.0 mp -51.69 -21.62 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 29.1 p80 52.86 51.1 16.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.2 m -131.94 -175.67 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.18 137.98 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.77 -14.67 62.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -75.67 -8.23 56.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -116.83 -10.11 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 86' ' ' VAL . 84.1 mt -83.75 137.62 33.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG21 ' HD2' ' A' ' 88' ' ' ARG . 6.4 t -129.57 138.47 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -95.55 127.82 41.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' CG1' HG12 ' A' ' 65' ' ' ILE . 3.5 mp -138.13 106.46 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.788 ' O ' HG22 ' A' ' 62' ' ' THR . 20.6 t80 -107.8 134.34 50.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 61' ' ' PHE . 14.0 t 51.41 25.24 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.91 19.3 67.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 61' ' ' PHE . 4.2 mmtp -117.13 116.72 27.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.426 HG12 ' CG1' ' A' ' 60' ' ' ILE . 11.8 mt -63.43 136.06 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.691 HD12 HD12 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -116.66 171.73 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -126.08 151.16 47.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -55.23 6.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.485 ' O ' HD12 ' A' ' 71' ' ' ILE . 19.5 pt20 -52.79 -36.53 58.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 39' ' ' VAL . 18.1 m-20 -69.73 129.53 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.8 mp -83.91 163.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 33' ' ' LEU . 17.0 mt -68.2 -69.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.6 p -44.4 -61.09 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -42.79 -48.72 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.682 ' HG3' HD22 ' A' ' 66' ' ' LEU . 12.2 mmt180 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.74 -27.27 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.428 HD11 ' HB2' ' A' ' 61' ' ' PHE . 32.4 mt -48.77 108.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 0.815 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.39 -165.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.5 128.71 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.41 46.41 20.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m -113.74 173.79 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.7 m -127.0 132.12 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.628 HG11 ' CD1' ' A' ' 59' ' ' LEU . 3.3 t -133.38 131.91 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -81.94 134.98 35.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.782 HG11 HG22 ' A' ' 24' ' ' THR . 6.7 p -105.0 151.73 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.2 t -141.02 153.19 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.5 p -136.54 68.0 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HD2' HG21 ' A' ' 58' ' ' VAL . 8.6 mtp180 -38.52 151.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 t -169.29 168.86 9.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.8 -65.43 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.64 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.3 p -160.31 144.73 14.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 158.74 155.27 7.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -59.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -117.85 -54.42 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 m 61.02 83.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -138.11 -58.6 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -141.37 105.62 4.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.15 164.94 21.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 59.05 168.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.048 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.21 147.9 52.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.007 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.95 102.04 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -78.58 168.87 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.8 p -175.11 113.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.25 -130.91 51.7 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt-85 -116.32 121.89 43.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -125.7 156.93 70.25 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.18 39.22 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -94.37 123.56 37.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m 46.11 -164.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.56 117.27 15.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 33' ' ' LEU . 6.3 mm -84.3 155.25 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 35' ' ' GLU . 10.5 pt -140.65 158.2 24.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -94.17 102.72 14.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 42' ' ' PHE . 61.9 t -105.7 114.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 30' ' ' GLU . 19.6 m -76.97 109.58 10.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG13 ' HB ' ' A' ' 85' ' ' VAL . 14.9 t -89.11 121.8 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -96.63 117.42 30.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.717 HG22 HG11 ' A' ' 85' ' ' VAL . 6.2 p -111.0 159.52 32.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.435 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.95 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.38 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.87 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.541 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 12.7 p -117.82 149.67 40.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 28' ' ' CYS . 34.2 m170 -145.23 114.4 7.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -84.76 133.2 34.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -121.37 166.88 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -139.33 101.92 4.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.27 165.63 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . . . -49.65 132.43 21.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.8 pt-20 -69.16 -14.63 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.24 39.19 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -104.26 113.48 27.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.68 151.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.723 HG12 ' HD2' ' A' ' 43' ' ' LYS . 10.0 t -43.48 -45.62 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -49.95 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -40.31 -55.76 2.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 1.2 t80 -49.28 -43.11 42.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HA ' HD12 ' A' ' 46' ' ' ILE . 5.2 mttt -62.45 -46.9 86.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp -41.96 -53.54 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -44.45 62.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.035 HG23 HD13 ' A' ' 50' ' ' LEU . 8.3 mt -64.53 -53.4 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 p -45.09 -36.48 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 3.2 mptt -67.43 -70.46 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.674 ' HD2' HD12 ' A' ' 50' ' ' LEU . 69.4 t80 -52.49 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.035 HD13 HG23 ' A' ' 46' ' ' ILE . 7.1 mp -50.94 -22.99 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 89.2 m-70 61.62 50.99 4.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -168.66 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.83 130.34 48.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.789 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -65.83 -17.14 64.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.32 -27.14 66.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -100.63 -1.91 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 54' ' ' ALA . 84.7 mt -88.78 142.43 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.7 t -130.3 130.53 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.916 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.68 127.22 35.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.9 108.59 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 62' ' ' THR . 39.3 t80 -106.57 130.83 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.5 t 51.86 20.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.37 -24.62 31.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HD3' HG23 ' A' ' 62' ' ' THR . 10.3 mptt -78.9 124.75 28.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -76.58 147.12 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.916 HD12 HD12 ' A' ' 59' ' ' LEU . 11.1 mt -112.5 -169.39 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' ASP . 27.3 mmt180 -146.76 139.33 25.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 4.3 p30 -42.08 -35.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.418 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 15.6 pt20 -87.31 40.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.1 m-20 -148.25 136.21 21.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 71' ' ' ILE . 1.1 mp -81.95 159.12 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' HD21 ' A' ' 33' ' ' LEU . 6.3 mt -72.01 -64.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 76' ' ' GLY . 54.0 p -48.12 -57.93 5.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -44.99 -44.44 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' CZ ' ' OD2' ' A' ' 70' ' ' ASP . 15.1 mmt180 -69.19 -30.32 68.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 135.86 -32.38 2.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.585 HD11 HD11 ' A' ' 66' ' ' LEU . 50.0 mt -43.01 110.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.93 -167.75 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -73.36 129.61 38.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.07 47.31 24.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -109.81 161.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.0 m -110.36 123.43 49.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.713 HG11 ' CD1' ' A' ' 59' ' ' LEU . 37.7 t -125.7 132.44 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -83.45 133.86 34.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.615 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.717 HG11 HG22 ' A' ' 24' ' ' THR . 8.3 p -102.83 149.14 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.789 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.7 t -137.29 155.2 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -137.7 63.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -39.44 156.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.8 t -174.27 154.93 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -116.01 100.48 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.6 -63.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -161.19 154.64 25.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.52 5.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -98.3 127.2 44.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 m -69.97 164.21 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t -136.83 90.02 2.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t 57.26 93.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.51 -167.75 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -162.63 -56.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 110.0 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -54.39 -59.83 4.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.06 -99.27 1.53 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.568 1.167 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.21 147.02 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.67 114.08 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.47 -172.24 13.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.97 -60.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.263 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.36 161.9 38.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 82.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -55.6 4.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.521 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -59.2 160.34 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 127.87 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG23 ' CA ' ' A' ' 33' ' ' LEU . 12.1 mm -81.33 159.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 35' ' ' GLU . 6.2 pt -141.72 158.96 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 10.1 ttp-105 -95.05 102.81 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG13 HG23 ' A' ' 83' ' ' VAL . 98.7 t -104.6 116.79 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m -75.27 111.02 10.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 85' ' ' VAL . 41.7 t -90.73 122.68 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -101.6 117.62 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.941 HG22 HG11 ' A' ' 85' ' ' VAL . 47.7 p -108.63 158.81 33.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.53 5.91 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.53 1.805 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 172.63 -62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -127.03 -168.9 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.09 132.62 49.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -128.1 161.1 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.587 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -130.42 125.72 35.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -112.36 149.8 31.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 9.6 m-85 -125.58 101.54 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.08 165.37 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.722 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -40.52 141.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' HB3' HG23 ' A' ' 18' ' ' ILE . 4.6 pt-20 -80.67 -7.55 59.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -117.48 4.37 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -66.28 113.74 4.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 3.0 p-10 -38.45 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.798 HG12 ' HD2' ' A' ' 43' ' ' LYS . 9.9 t -54.48 -43.45 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -62.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 16.2 mtt180 -47.05 -53.83 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.6 t80 -50.31 -38.43 41.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.798 ' HD2' HG12 ' A' ' 39' ' ' VAL . 2.7 mttt -66.22 -43.91 85.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.51 -48.6 78.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -46.25 -42.61 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.987 HG23 HD13 ' A' ' 50' ' ' LEU . 9.1 mt -65.53 -52.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -33.94 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -59.66 -70.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.717 ' HD2' HD12 ' A' ' 50' ' ' LEU . 58.4 t80 -64.4 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.987 HD13 HG23 ' A' ' 46' ' ' ILE . 6.0 mp -40.31 -29.95 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 82.3 m-70 64.7 49.95 2.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 89.2 m -127.36 -172.17 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.311 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.1 123.31 44.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.728 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -63.37 -22.87 67.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.24 -19.37 65.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -111.81 3.51 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.33 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 54' ' ' ALA . 88.6 mt -90.65 138.38 31.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.52 ' O ' HD12 ' A' ' 60' ' ' ILE . 40.8 t -130.11 129.84 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -85.46 130.45 34.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.52 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.6 mp -137.07 107.02 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.818 ' O ' HG22 ' A' ' 62' ' ' THR . 30.1 t80 -109.12 130.69 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.818 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.8 t 52.41 21.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.82 -12.85 66.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.44 117.63 25.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.75 131.84 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 59' ' ' LEU . 6.9 mt -97.45 -176.89 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' C ' ' CG ' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -111.82 -87.69 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' CG ' ' C ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -178.77 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -82.29 1.65 35.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -95.75 139.95 31.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.5 mp -87.97 137.45 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.653 HD11 HD21 ' A' ' 33' ' ' LEU . 47.7 mt -41.55 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.72 -52.91 16.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 58.6 mt-30 -43.95 -35.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.647 ' HG3' HD22 ' A' ' 66' ' ' LEU . 6.4 mmt180 -83.39 -46.06 12.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.52 -27.33 0.96 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.551 1.157 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 61' ' ' PHE . 27.2 mt -44.23 110.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -115.8 -168.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.48 131.98 43.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.217 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.76 43.41 35.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -108.23 159.62 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.989 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.8 m -113.25 127.1 56.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.725 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.6 t -126.35 130.66 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.5 130.13 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.941 HG11 HG22 ' A' ' 24' ' ' THR . 9.1 p -98.9 150.01 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.72 ' O ' HD23 ' A' ' 57' ' ' LEU . 5.2 t -142.99 153.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 57' ' ' LEU . 4.1 t -137.47 73.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HD2' HG21 ' A' ' 58' ' ' VAL . 7.1 mtp180 -39.28 151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.02 -59.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 63.44 123.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.19 88.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -66.85 157.36 51.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 83.65 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.92 -61.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 79.7 p -77.86 126.89 31.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.42 132.19 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.777 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -170.08 161.91 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.4 89.72 0.08 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -170.99 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 0.816 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -115.97 -58.42 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.44 104.82 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 9' ' ' SER . 14.0 p -55.35 -47.99 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.443 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 50.41 96.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.66 -67.05 0.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.51 97.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.0 153.41 17.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.27 31.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -144.83 -55.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -57.74 170.95 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 115.63 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.3 mm -76.98 156.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 18.1 pt -135.65 164.6 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 20.6 ttp180 -99.66 102.61 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.8 t -107.75 120.84 59.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -79.02 109.1 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 31' ' ' PHE . 52.5 t -87.61 121.08 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.1 tptt -106.77 117.29 33.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.764 HG22 HG11 ' A' ' 85' ' ' VAL . 3.2 p -110.86 163.35 17.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 2.0 7.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.99 -54.9 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -150.05 -174.41 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.8 p -115.18 127.51 55.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -137.69 150.23 47.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -110.93 132.55 54.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' CD1' HG21 ' A' ' 22' ' ' VAL . 23.6 m-85 -115.35 148.08 39.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 111.061 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 23.6 m-85 -125.93 103.53 7.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -136.4 165.38 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.766 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -46.66 132.02 11.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 2.4 pt-20 -72.92 -12.96 61.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.493 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 37.5 p-10 -111.83 32.06 5.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -102.43 116.95 33.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.54 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.862 HG12 ' HD2' ' A' ' 43' ' ' LYS . 24.9 t -51.38 -49.24 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -42.66 -58.51 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -49.16 -53.24 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 59' ' ' LEU . 1.2 t80 -51.27 -38.88 55.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.874 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -65.0 -50.39 66.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -46.87 -51.01 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.35 -38.96 55.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.002 HG23 HD13 ' A' ' 50' ' ' LEU . 14.0 mt -68.94 -49.61 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' HIS . 2.9 p -52.2 -40.54 61.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -47.83 -53.44 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.591 ' HD2' HD12 ' A' ' 50' ' ' LEU . 58.3 t80 -83.73 -65.15 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.002 HD13 HG23 ' A' ' 46' ' ' ILE . 5.6 mp -43.53 -27.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 17.5 p80 55.95 31.63 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.603 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' HG13 ' A' ' 87' ' ' VAL . 73.7 m -119.14 133.57 55.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' CYS . 6.0 m-80 -40.31 129.65 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -70.67 -23.37 62.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.4 -20.76 64.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -106.56 3.75 27.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -90.05 142.97 27.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.0 t -130.14 142.51 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -104.16 125.28 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -138.45 118.52 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CD2' HG13 ' A' ' 77' ' ' ILE . 7.7 t80 -118.86 115.63 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.514 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 84.14 -40.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.54 -26.66 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.6 OUTLIER -87.49 146.5 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' LEU . 3.0 mp -89.56 152.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.782 HD12 HD12 ' A' ' 59' ' ' LEU . 3.1 mt -107.2 -171.61 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.49 36.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -29.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.4 pt20 -92.11 40.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' C ' HD12 ' A' ' 71' ' ' ILE . 2.3 m-20 -145.22 143.2 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.551 ' CD1' ' N ' ' A' ' 71' ' ' ILE . 1.2 mp -90.0 161.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.775 HD11 HD21 ' A' ' 33' ' ' LEU . 23.1 mt -70.73 -70.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -56.92 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -45.63 -44.02 12.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HG3' HD22 ' A' ' 66' ' ' LEU . 8.3 mmt180 -68.25 -45.22 73.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.86 -28.81 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 61' ' ' PHE . 16.4 mt -49.48 110.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -113.97 -167.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.56 124.89 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.82 47.46 7.18 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -112.75 168.54 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -120.02 123.71 44.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -122.56 128.77 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -83.08 131.07 35.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.606 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.764 HG11 HG22 ' A' ' 24' ' ' THR . 7.7 p -100.73 153.94 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.764 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.1 t -143.06 153.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.41 HG13 ' HB3' ' A' ' 52' ' ' CYS . 16.4 t -133.44 67.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -38.96 155.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.4 t -160.72 152.63 19.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -163.43 107.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.71 81.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -147.23 97.26 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 m -121.46 -59.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.63 103.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -74.77 111.71 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.18 118.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.94 122.02 7.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 p -83.33 -57.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 110.039 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -124.15 147.51 47.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.27 80.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -101.05 137.32 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.28 161.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 -172.9 48.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.8 mtt180 -84.72 -56.32 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.77 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 2.4 pt-20 54.5 159.04 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.33 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -86.24 134.61 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -53.73 172.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 119.82 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 34' ' ' ALA . 8.8 mm -77.77 146.46 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.45 HG23 ' HB3' ' A' ' 35' ' ' GLU . 12.4 pt -130.8 156.48 42.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 14.2 ttp-105 -94.27 102.86 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.81 119.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -75.19 113.14 12.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG13 ' HB ' ' A' ' 85' ' ' VAL . 42.8 t -91.42 122.54 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -99.49 118.01 35.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.014 HG22 HG11 ' A' ' 85' ' ' VAL . 71.1 p -112.41 156.88 41.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 68.06 5.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 169.44 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -148.83 -172.02 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -127.39 142.81 51.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.494 ' CE1' ' CE2' ' A' ' 49' ' ' TYR . 1.7 t-80 -141.25 158.63 43.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.572 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.98 131.79 56.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -117.02 145.21 43.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 40.9 m-85 -120.7 101.82 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.745 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.45 165.24 25.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.807 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -48.82 133.41 17.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HB3' HG23 ' A' ' 18' ' ' ILE . 13.5 pt-20 -68.09 -23.19 64.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.17 38.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.807 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 3.3 m -102.5 111.03 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' SER . 1.3 p-10 -39.56 148.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 43' ' ' LYS . 12.1 t -43.57 -47.25 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -46.22 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ARG . 11.2 mtt-85 -37.97 -56.77 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -47.64 -46.96 29.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.767 ' HA ' HD12 ' A' ' 46' ' ' ILE . 16.3 mttt -55.02 -47.7 74.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.366 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HE2' ' CD ' ' A' ' 40' ' ' ARG . 12.3 mmtt -44.93 -51.1 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -41.72 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.024 HG23 HD13 ' A' ' 50' ' ' LEU . 12.2 mt -67.5 -50.92 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 p -48.01 -35.96 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -70.88 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.591 ' HD1' HD12 ' A' ' 50' ' ' LEU . 54.2 t80 -55.6 -63.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.024 HD13 HG23 ' A' ' 46' ' ' ILE . 7.8 mp -56.16 -24.47 41.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 62.94 53.33 2.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.61 -170.08 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.98 131.63 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -70.24 -14.15 62.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.46 -17.16 62.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -112.88 4.69 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 54' ' ' ALA . 91.4 mt -92.42 139.62 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.13 132.34 65.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.814 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -91.66 127.77 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.96 106.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.792 ' O ' HG22 ' A' ' 62' ' ' THR . 25.9 t80 -109.16 141.2 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.2 t 52.25 23.5 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.08 -2.32 87.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -105.07 124.75 50.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.763 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.5 143.23 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.605 HD12 HD12 ' A' ' 59' ' ' LEU . 21.0 mt -106.03 -155.73 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mmt180 -152.14 138.18 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 69' ' ' GLN . 2.3 p30 -44.65 -47.37 10.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 8.9 pt20 -64.95 -32.02 73.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 39' ' ' VAL . 72.5 m-20 -74.24 138.02 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.8 mp -87.0 164.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 1.6 mt -69.03 -70.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 t -49.22 -57.89 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -43.46 -34.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -81.05 -38.03 28.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 146.66 -26.85 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.155 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 66' ' ' LEU . 27.7 mt -48.65 109.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.89 -165.54 1.03 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 131.15 40.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.78 47.29 40.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.971 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.4 m -112.72 127.78 56.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.814 HG11 ' CD1' ' A' ' 59' ' ' LEU . 14.9 t -129.07 131.73 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.9 129.78 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 1.014 HG11 HG22 ' A' ' 24' ' ' THR . 8.8 p -98.0 154.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.695 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.8 t -143.03 151.47 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 87' ' ' VAL . 8.7 p -141.19 69.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -39.65 138.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.8 p -179.76 94.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 m80 61.76 168.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.5 p -138.98 95.12 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.69 -146.08 18.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 147.52 34.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.2 p -135.28 80.89 1.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.9 t 63.46 92.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -143.04 77.29 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -45.5 -61.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.47 86.24 1.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -174.36 141.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 p -155.63 -56.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.7 -145.6 12.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.419 1.074 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -130.39 169.09 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 p -157.98 82.93 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.971 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.69 77.17 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -171.99 131.12 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 61.64 159.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.69 3.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.546 1.814 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.3 t -43.82 -52.04 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.506 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 59.9 m -157.17 163.98 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.97 139.91 16.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.434 HG23 ' C ' ' A' ' 33' ' ' LEU . 5.0 mm -91.42 154.56 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 13.2 pt -139.91 158.6 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 25.2 ttp180 -94.33 102.85 14.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -105.49 121.13 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -76.46 112.5 13.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HB ' ' A' ' 85' ' ' VAL . 33.8 t -91.23 120.31 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -99.12 117.81 34.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.849 HG22 HG11 ' A' ' 85' ' ' VAL . 23.7 p -108.16 156.96 37.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.25 4.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.45 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.32 -168.33 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.32 142.21 51.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 108.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -137.54 161.02 37.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.602 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -124.27 120.06 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' HG21 ' A' ' 22' ' ' VAL . 17.3 m-85 -108.41 149.48 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 19' ' ' ARG . 42.0 m-85 -127.73 101.93 6.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.788 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -136.03 165.26 26.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.759 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.74 133.26 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -66.95 -20.99 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -115.08 47.32 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.438 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -106.73 118.48 36.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 2.8 p-10 -39.58 151.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.871 HG12 ' HD2' ' A' ' 43' ' ' LYS . 30.7 t -50.13 -44.5 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -47.38 -70.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.531 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 6.6 mtt-85 -38.92 -56.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -48.58 -40.02 25.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.871 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -64.79 -52.75 55.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -43.81 -49.92 7.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -37.24 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.049 HG23 HD13 ' A' ' 50' ' ' LEU . 11.2 mt -73.26 -47.35 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 p -53.05 -27.84 21.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -68.51 -60.38 2.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.606 ' HD2' HD12 ' A' ' 50' ' ' LEU . 61.7 t80 -68.86 -66.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.049 HD13 HG23 ' A' ' 46' ' ' ILE . 6.5 mp -44.66 -28.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 70.2 m-70 65.03 39.93 5.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.706 ' SG ' HD21 ' A' ' 57' ' ' LEU . 20.8 p -118.03 -158.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.298 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.45 135.84 52.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -67.68 -15.25 63.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -76.76 -16.21 59.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.98 -1.52 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 86' ' ' VAL . 83.5 mt -90.55 138.27 31.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.515 ' CG2' ' NH2' ' A' ' 88' ' ' ARG . 66.8 t -128.06 134.27 65.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.739 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -94.9 128.06 41.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.462 HD11 HG12 ' A' ' 58' ' ' VAL . 3.4 mp -137.69 109.54 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.617 ' O ' HG22 ' A' ' 62' ' ' THR . 24.6 t80 -113.05 112.17 23.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 81.96 -1.04 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.67 -10.2 30.2 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.125 . . . . 0.0 110.948 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -96.55 127.46 42.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.55 135.31 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -100.73 -174.24 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -132.48 143.99 50.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -20.99 3.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -95.23 32.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD2' ' NH2' ' A' ' 75' ' ' ARG . 33.2 m-20 -141.12 144.76 35.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.564 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -90.36 161.63 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.788 HD11 HD21 ' A' ' 33' ' ' LEU . 1.2 mt -72.26 -61.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -51.55 -55.55 18.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.939 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -48.23 -46.03 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.497 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 14.0 mmt180 -65.83 -37.2 85.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.1 -26.73 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 61' ' ' PHE . 20.8 mt -47.81 110.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.6 tp -115.17 -166.05 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.16 125.77 29.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.59 8.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 m -108.44 157.56 18.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 m -109.02 121.92 46.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.739 HG11 ' CD1' ' A' ' 59' ' ' LEU . 20.1 t -123.69 131.46 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -84.39 128.35 34.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.631 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.849 HG11 HG22 ' A' ' 24' ' ' THR . 6.4 p -98.68 147.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.815 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.8 t -132.73 149.88 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 87' ' ' VAL . 9.8 p -145.47 68.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.515 ' NH2' ' CG2' ' A' ' 58' ' ' VAL . 51.3 mtm180 -45.66 -24.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.409 ' HB3' HG22 ' A' ' 87' ' ' VAL . 47.2 t -51.22 93.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 88' ' ' ARG . 62.5 m170 65.73 81.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -158.64 143.74 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -84.52 157.06 32.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 67.31 5.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.0 p -134.47 92.53 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -61.92 170.11 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p -159.86 80.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.99 164.72 4.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.03 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.86 -113.74 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -167.56 101.08 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -171.79 109.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.744 ' O ' HG12 ' A' ' 8' ' ' VAL . . . -63.2 -125.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 7' ' ' GLY . 6.1 p 50.98 177.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.687 ' H ' HG22 ' A' ' 8' ' ' VAL . 0.5 OUTLIER 62.81 105.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.029 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.35 -107.59 0.33 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -151.59 96.17 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -147.48 160.39 39.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 82.79 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 t -109.51 -62.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -150.07 -175.89 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 123.66 25.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.524 HD13 ' HA ' ' A' ' 34' ' ' ALA . 8.9 mm -85.25 153.37 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 35' ' ' GLU . 9.9 pt -136.81 158.16 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 22.7 ttp180 -88.54 102.56 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.99 116.89 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.409 ' OG ' HG23 ' A' ' 82' ' ' THR . 1.1 t -76.04 143.97 41.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 31' ' ' PHE . 40.1 t -119.37 119.83 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.66 117.94 33.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.952 HG22 HG11 ' A' ' 85' ' ' VAL . 59.1 p -110.46 158.96 33.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.08 4.76 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 179.04 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.35 -168.12 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.0 p -128.21 136.36 50.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.098 . . . . 0.0 108.259 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -133.68 165.78 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.645 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.07 144.55 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' ' 22' ' ' VAL . 16.0 m-85 -132.16 140.42 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 31.6 m-85 -121.44 104.43 9.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.757 HD22 ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.78 165.09 26.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.757 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.64 132.64 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.522 ' HB3' HG23 ' A' ' 18' ' ' ILE . 5.5 pt-20 -69.89 -13.44 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -117.69 39.28 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -104.0 114.78 29.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -39.35 151.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.865 HG12 ' HD2' ' A' ' 43' ' ' LYS . 15.9 t -49.23 -45.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -66.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.3 mtt85 -42.96 -54.49 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.72 -41.89 44.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -58.47 -50.82 72.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -44.82 -50.06 10.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.22 -44.19 32.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.128 HG23 HD13 ' A' ' 50' ' ' LEU . 14.0 mt -67.14 -50.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 p -52.8 -35.13 56.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -54.44 47.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.63 ' HD2' HD12 ' A' ' 50' ' ' LEU . 49.8 t80 -78.35 -69.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.128 HD13 HG23 ' A' ' 46' ' ' ILE . 6.2 mp -41.05 -32.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 77.7 m-70 65.38 48.27 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.4 m -139.33 142.22 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.27 143.95 4.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -77.16 -19.16 57.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -64.59 -20.34 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.2 mmt-85 -107.3 1.98 24.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 86' ' ' VAL . 87.4 mt -92.3 124.55 36.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HD12 ' A' ' 60' ' ' ILE . 24.5 t -118.46 127.83 75.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.81 125.42 33.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.1 mp -137.17 110.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 77' ' ' ILE . 5.0 t80 -119.6 117.59 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 79.31 7.58 1.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.92 6.54 59.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -112.52 127.12 55.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mt -71.33 125.6 30.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 59' ' ' LEU . 11.2 mt -84.98 -159.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' ASP . 32.4 mmt180 -153.53 139.5 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -47.67 -41.56 22.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -70.37 -27.0 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.25 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.533 ' C ' HD12 ' A' ' 71' ' ' ILE . 39.2 m-20 -78.21 139.23 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.2 mp -93.96 147.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.625 HD11 HD21 ' A' ' 33' ' ' LEU . 20.5 mt -48.01 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -57.91 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.465 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 67.7 mt-30 -40.73 -34.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -83.13 -49.93 8.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.24 -32.18 0.45 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.684 HD11 HD11 ' A' ' 66' ' ' LEU . 11.4 mt -43.4 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.0 OUTLIER -121.52 -165.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.94 128.42 35.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.79 52.2 9.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -120.58 155.02 34.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.409 HG23 ' OG ' ' A' ' 21' ' ' SER . 71.8 m -108.07 139.69 42.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.712 HG11 ' CD1' ' A' ' 59' ' ' LEU . 2.5 t -136.48 143.45 35.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -91.44 137.74 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.55 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.952 HG11 HG22 ' A' ' 24' ' ' THR . 7.9 p -105.31 149.91 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.868 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.3 t -133.68 154.25 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -139.68 63.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -39.04 158.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -177.02 128.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -144.51 146.73 32.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.62 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.0 m 57.07 168.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.91 123.7 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.02 26.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.46 167.13 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 m 63.7 130.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.43 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.18 158.2 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.31 100.97 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.059 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 160.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -130.86 153.89 48.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.55 59.86 7.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -113.41 136.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.55 86.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.024 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.07 -82.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.75 163.42 30.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.21 151.79 38.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 102.31 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.4 p -65.56 104.98 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.957 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.84 176.31 8.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 109.65 21.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.581 HD13 ' HA ' ' A' ' 34' ' ' ALA . 21.2 mm -75.85 150.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 35' ' ' GLU . 12.1 pt -133.14 161.05 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' NE ' ' OE2' ' A' ' 30' ' ' GLU . 15.7 ttp-105 -99.46 103.06 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.5 t -108.73 121.3 61.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -79.93 108.64 13.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG13 ' HB ' ' A' ' 85' ' ' VAL . 19.2 t -87.38 119.81 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -98.3 117.29 32.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.76 HG22 HG11 ' A' ' 85' ' ' VAL . 6.3 p -113.44 159.92 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.2 Cg_endo -75.0 48.14 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.52 -44.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.7 178.28 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.34 145.13 27.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -144.9 118.42 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.595 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' OE2' ' NE ' ' A' ' 19' ' ' ARG . 3.1 mt-10 -88.28 127.89 35.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -115.24 166.19 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -139.25 102.21 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.761 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.3 165.52 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.581 ' HA ' HD13 ' A' ' 17' ' ' ILE . . . -50.54 135.14 23.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.512 ' HB3' HG23 ' A' ' 18' ' ' ILE . 12.8 pt-20 -75.53 -4.39 39.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.487 ' OD1' ' HB1' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -116.12 15.89 16.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 m -86.68 109.79 19.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -39.66 150.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -40.62 -57.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -38.67 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HG3' ' ND2' ' A' ' 38' ' ' ASN . 13.4 mtt180 -49.16 -52.86 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.1 -42.05 60.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HA ' HD12 ' A' ' 46' ' ' ILE . 34.8 mttt -60.01 -47.24 86.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -41.75 -52.58 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -47.68 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.997 HG23 HD13 ' A' ' 50' ' ' LEU . 7.0 mt -63.39 -56.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.32 -35.97 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -64.12 -69.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.637 ' HD2' HD12 ' A' ' 50' ' ' LEU . 60.7 t80 -57.9 -58.91 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.997 HD13 HG23 ' A' ' 46' ' ' ILE . 7.4 mp -57.74 -17.4 15.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 50' ' ' LEU . 30.4 p80 50.8 53.9 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.7 m -131.46 -175.76 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.31 126.5 38.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.64 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -66.81 -16.74 64.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.64 -16.97 62.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.78 2.88 16.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 86' ' ' VAL . 93.9 mt -92.45 138.75 31.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -129.85 141.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.843 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -99.54 126.24 45.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.22 107.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' ' 62' ' ' THR . 20.9 t80 -113.74 110.67 20.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 62' ' ' THR . 0.5 OUTLIER 82.35 13.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.87 -9.6 70.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.569 1.168 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -95.71 127.14 41.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.09 137.59 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.792 HD12 HD12 ' A' ' 59' ' ' LEU . 3.6 mt -104.74 171.92 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' ASP . 2.6 mmt180 -116.82 139.16 50.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HB3' ' CG ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -50.1 -27.02 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -81.66 -29.35 33.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 67' ' ' ARG . 91.4 m-20 -70.17 141.05 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -91.68 137.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 33' ' ' LEU . 8.8 mt -41.48 -71.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' GLY . 0.3 OUTLIER -46.25 -56.33 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.4 HE21 HD13 ' A' ' 71' ' ' ILE . 12.1 mt-30 -44.08 -37.31 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.634 ' HG3' HD22 ' A' ' 66' ' ' LEU . 12.9 mmt180 -78.88 -36.47 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 138.94 -23.86 2.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 72' ' ' LEU . 35.6 mt -46.2 107.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 tp -110.32 -165.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.05 129.71 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 73.75 44.25 32.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -109.42 163.1 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.5 m -109.47 139.42 44.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.843 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.8 t -141.16 136.27 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -90.7 128.81 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.76 HG11 HG22 ' A' ' 24' ' ' THR . 7.7 p -97.74 150.32 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.778 ' O ' HD23 ' A' ' 57' ' ' LEU . 7.1 t -137.85 156.04 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.3 p -139.14 68.11 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -39.39 150.72 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 p -160.84 148.74 15.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -55.28 140.38 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.571 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.4 p -62.69 138.12 58.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.47 96.57 0.25 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 71.74 4.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 t 43.64 87.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 90.0 p -107.06 73.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 171.08 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -109.11 165.51 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.14 149.07 7.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.84 169.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 p 61.03 116.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.05 67.79 0.17 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -170.05 126.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.96 160.43 33.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.13 -151.54 6.37 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 96.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 0.727 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' ' CD ' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -170.23 167.65 4.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' CD ' ' HG2' ' A' ' 12' ' ' GLU . 18.3 Cg_endo -75.0 154.69 42.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.37 76.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 3.4 m -48.5 176.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -67.27 136.08 54.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.499 HG23 ' CA ' ' A' ' 33' ' ' LEU . 10.0 mm -89.62 151.54 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.4 pt -136.77 154.78 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 32' ' ' PHE . 3.5 ttt180 -90.81 102.81 15.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 ' CG1' HG23 ' A' ' 83' ' ' VAL . 41.6 t -106.0 117.03 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 m -75.05 109.09 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 85' ' ' VAL . 35.9 t -88.93 119.9 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.67 118.08 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.866 HG22 HG11 ' A' ' 85' ' ' VAL . 29.0 p -112.08 157.29 40.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 65.14 6.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 172.22 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.54 -173.13 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 p -126.44 140.22 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.07 140.55 30.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -101.86 126.95 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -110.52 142.58 42.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 5.4 m-85 -117.24 101.56 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.98 165.59 25.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.903 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -44.99 140.06 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 1.3 pt-20 -75.52 -20.16 58.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 15' ' ' SER . 0.7 OUTLIER -111.42 21.31 16.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.903 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -82.83 112.41 19.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.1 p-10 -37.92 148.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.546 HG13 ' HG ' ' A' ' 59' ' ' LEU . 18.1 t -47.31 -48.0 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -60.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -48.36 -53.11 18.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.58 -37.06 37.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.716 ' HA ' HD12 ' A' ' 46' ' ' ILE . 36.0 mttt -68.41 -44.8 74.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -48.67 -51.0 30.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -48.42 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.055 HG23 HD13 ' A' ' 50' ' ' LEU . 15.3 mt -58.9 -58.04 8.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -44.97 -38.78 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -57.17 -67.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.419 ' HD2' HD12 ' A' ' 50' ' ' LEU . 73.6 t80 -63.15 -67.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.055 HD13 HG23 ' A' ' 46' ' ' ILE . 3.1 mp -39.78 -50.2 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 88.13 28.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.61 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 57' ' ' LEU . 7.7 p -110.62 -172.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.28 128.4 44.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -61.89 -36.14 80.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.9 -16.96 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -109.56 6.88 24.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 86' ' ' VAL . 68.3 mt -100.32 140.71 34.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG21 ' HD2' ' A' ' 88' ' ' ARG . 16.9 t -129.79 134.13 63.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.882 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -93.47 128.55 39.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.59 106.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.802 ' O ' HG22 ' A' ' 62' ' ' THR . 23.5 t80 -108.91 138.67 44.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.802 HG22 ' O ' ' A' ' 61' ' ' PHE . 12.7 t 52.54 22.65 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.45 -1.23 89.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -104.68 120.13 40.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.46 154.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.539 HD12 HD12 ' A' ' 59' ' ' LEU . 4.9 mt -120.38 -159.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' ASP . 10.9 mmt180 -143.83 137.98 28.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -21.76 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.16 -26.61 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ARG . 80.1 m-20 -78.71 145.92 34.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.7 mp -91.18 162.97 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.566 ' CD1' HD21 ' A' ' 33' ' ' LEU . 11.1 mt -69.3 -70.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -56.15 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -44.36 -40.52 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' NH2' ' OD2' ' A' ' 70' ' ' ASP . 8.3 mmt180 -74.84 -47.83 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 156.94 -31.76 0.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 66' ' ' LEU . 22.4 mt -43.08 108.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -110.42 -166.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -79.06 130.81 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.64 37.52 26.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -104.81 163.57 12.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.3 m -117.12 124.7 49.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.882 HG11 ' CD1' ' A' ' 59' ' ' LEU . 11.1 t -123.68 135.54 63.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -87.17 133.57 33.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.626 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.866 HG11 HG22 ' A' ' 24' ' ' THR . 8.3 p -103.35 147.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.671 ' O ' HD23 ' A' ' 57' ' ' LEU . 10.0 t -138.79 146.61 26.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 87' ' ' VAL . 7.7 p -129.85 69.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' HD2' HG21 ' A' ' 58' ' ' VAL . 43.3 mtp180 -41.68 142.04 0.7 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.51 -50.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -118.89 125.54 49.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.609 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.0 p -112.77 138.61 49.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.14 159.59 8.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -44.97 -58.81 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.09 90.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 61.88 78.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 0.743 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.61 108.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.88 -162.52 5.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.71 -58.85 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 0.79 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -92.44 156.28 17.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.18 108.29 0.37 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 p -67.21 141.58 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -87.31 111.49 21.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.11 139.78 28.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -83.98 140.21 32.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.84 165.67 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.38 40.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.2 m -96.81 139.13 33.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.54 161.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 121.94 18.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.533 HG23 ' C ' ' A' ' 33' ' ' LEU . 11.7 mm -81.97 148.77 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -126.37 163.46 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 15.1 ttp180 -96.3 102.77 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.2 t -106.69 117.39 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -77.0 112.26 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 85' ' ' VAL . 40.5 t -89.73 119.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -99.99 117.79 35.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.77 HG22 HG11 ' A' ' 85' ' ' VAL . 12.0 p -111.75 157.42 39.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 63.49 6.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.69 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -142.37 -179.99 6.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.0 p -120.9 138.93 53.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -133.77 165.09 25.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.51 110.95 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -97.66 151.97 19.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 19.4 m-85 -130.41 103.61 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -135.61 165.4 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.681 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -47.56 130.9 14.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -62.98 -23.06 67.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -113.71 52.31 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -116.07 117.22 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.444 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.6 p-10 -39.18 157.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG21 ' CB ' ' A' ' 66' ' ' LEU . 16.0 t -55.49 -46.79 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -43.94 -63.46 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 15.0 mtt-85 -47.42 -53.09 14.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.16 -40.64 47.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.649 ' HA ' HD12 ' A' ' 46' ' ' ILE . 39.2 mttt -62.66 -48.15 80.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -41.36 -50.6 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -47.93 65.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.991 HG23 HD13 ' A' ' 50' ' ' LEU . 12.5 mt -63.39 -58.32 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.99 -40.0 4.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -59.91 -70.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.636 ' HD2' HD12 ' A' ' 50' ' ' LEU . 64.4 t80 -57.44 -59.79 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.991 HD13 HG23 ' A' ' 46' ' ' ILE . 7.4 mp -56.49 -18.16 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 31.5 p80 52.35 53.6 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' SG ' HG11 ' A' ' 87' ' ' VAL . 0.8 OUTLIER -132.91 -176.82 4.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.24 132.08 35.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.89 -19.66 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -73.88 -19.27 60.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt-85 -108.53 18.04 21.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 86' ' ' VAL . 58.2 mt -111.5 138.57 47.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.0 t -127.09 137.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.844 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.68 127.59 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.264 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mp -138.61 107.6 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.83 ' O ' HG22 ' A' ' 62' ' ' THR . 25.6 t80 -106.81 130.64 54.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.1 t 52.73 19.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.27 -24.69 31.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HD3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -78.62 125.63 29.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.784 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.21 149.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.797 HD12 HD12 ' A' ' 59' ' ' LEU . 6.1 mt -118.98 -178.4 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.8 mtp180 -141.11 148.55 40.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.32 -34.85 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.41 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 14.7 pt20 -89.67 38.1 0.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.536 ' C ' HD12 ' A' ' 71' ' ' ILE . 7.1 m-20 -137.14 137.92 39.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -94.84 139.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 33' ' ' LEU . 1.2 mt -52.64 -71.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -54.64 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -43.8 -50.78 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG3' HD22 ' A' ' 66' ' ' LEU . 56.2 mmt-85 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . 142.3 -28.45 2.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 66' ' ' LEU . 38.4 mt -39.73 108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tp -112.08 -159.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -82.75 130.13 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 76.34 41.95 24.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.68 165.77 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -118.07 119.35 34.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.844 HG11 ' CD1' ' A' ' 59' ' ' LEU . 14.5 t -119.95 130.2 74.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -82.38 130.93 35.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.77 HG11 HG22 ' A' ' 24' ' ' THR . 8.7 p -100.62 146.77 8.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.616 ' O ' HD23 ' A' ' 57' ' ' LEU . 9.1 t -136.89 147.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.468 HG11 ' SG ' ' A' ' 52' ' ' CYS . 2.8 t -133.95 59.64 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -47.59 172.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 p -168.92 -58.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.7 77.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.34 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.53 -145.34 18.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.33 4.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.2 p -50.12 -25.42 3.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 148.05 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 60.61 151.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.4 125.56 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -82.23 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p 58.02 159.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 t 61.97 103.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.032 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.45 -168.38 36.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.419 1.074 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -76.81 117.39 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.3 p -88.0 168.87 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.977 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.04 134.03 7.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.09 29.05 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.02 167.86 20.83 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 15' ' ' SER . 32.0 t 62.17 128.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' SER . 1.4 m 84.95 154.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -64.15 144.84 56.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.8 mm -93.33 158.09 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 11.8 pt -139.26 159.22 28.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 2.7 ttt180 -92.36 102.54 15.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -105.24 118.92 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.63 ' OG ' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER -75.43 128.71 35.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 31' ' ' PHE . 43.1 t -108.34 119.76 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 85' ' ' VAL . 8.8 tptt -105.1 117.33 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.828 HG22 HG11 ' A' ' 85' ' ' VAL . 6.7 p -110.4 157.51 37.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.526 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 18.1 Cg_endo -75.03 43.27 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.526 ' CG ' ' O ' ' A' ' 25' ' ' PRO . 70.4 mt-30 -160.84 -57.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.31 -175.41 4.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.45 126.68 48.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.94 160.94 34.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -127.42 134.65 49.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 22' ' ' VAL . 7.3 m-85 -116.02 163.07 16.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 21.5 m-85 -138.97 102.46 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -135.75 165.16 26.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.79 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -41.16 135.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -70.06 -16.14 63.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -116.82 40.54 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.52 ' CB ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -100.03 115.46 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 41' ' ' ARG . 3.5 p-10 -38.63 153.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.86 HG12 ' HD2' ' A' ' 43' ' ' LYS . 18.5 t -52.32 -42.93 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -47.96 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 20.9 mtt-85 -41.82 -54.69 3.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CE2' HD11 ' A' ' 59' ' ' LEU . 2.0 t80 -49.64 -39.26 35.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.86 ' HD2' HG12 ' A' ' 39' ' ' VAL . 3.8 mttt -65.58 -43.85 88.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -52.17 -54.31 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -38.81 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.005 HG23 HD13 ' A' ' 50' ' ' LEU . 43.2 mt -67.09 -44.75 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.538 ' HB3' ' HB2' ' A' ' 54' ' ' ALA . 6.2 p -57.06 -41.47 78.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.15 -44.09 31.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' HD2' HD12 ' A' ' 50' ' ' LEU . 59.2 t80 -91.25 -65.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.005 HD13 HG23 ' A' ' 46' ' ' ILE . 6.7 mp -46.28 -26.48 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.572 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 3.9 p80 39.97 54.05 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.573 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.439 ' HB3' ' CG1' ' A' ' 87' ' ' VAL . 1.2 m -140.17 33.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' CYS . 86.8 m-20 61.64 139.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -85.95 -20.98 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -61.31 -24.93 66.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -102.92 12.25 36.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 54' ' ' ALA . 77.2 mt -100.0 142.39 31.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.818 HG21 ' HD2' ' A' ' 88' ' ' ARG . 48.3 t -130.19 125.83 60.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.01 127.09 33.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 58' ' ' VAL . 3.4 mp -137.76 106.83 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.568 ' CD1' HG13 ' A' ' 77' ' ' ILE . 10.0 t80 -112.94 113.07 24.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.6 -1.01 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.43 30.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -95.21 126.08 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 mp -71.8 133.3 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 59' ' ' LEU . 8.0 mt -94.61 -170.97 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' ASP . 21.5 mmt180 -139.63 133.95 31.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -29.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -91.23 38.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.8 m-20 -143.08 138.37 29.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.4 mp -88.97 140.4 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD11 HD21 ' A' ' 33' ' ' LEU . 41.8 mt -48.1 -71.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -44.6 -49.22 10.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' H ' HG22 ' A' ' 71' ' ' ILE . 19.9 mt-30 -49.39 -45.21 45.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.519 ' HG3' HD22 ' A' ' 66' ' ' LEU . 17.8 mmt180 -69.37 -43.96 72.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.09 -28.67 1.0 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.568 HG13 ' CD1' ' A' ' 61' ' ' PHE . 24.5 mt -45.11 112.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.7 tp -117.0 -167.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 120.44 17.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 83.23 51.66 4.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.0 m -115.32 157.44 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.63 HG23 ' OG ' ' A' ' 21' ' ' SER . 93.8 m -110.35 121.88 46.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 59' ' ' LEU . 12.4 t -120.24 132.22 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -86.4 129.64 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.828 HG11 HG22 ' A' ' 24' ' ' THR . 6.1 p -97.97 150.42 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.731 ' O ' HD23 ' A' ' 57' ' ' LEU . 13.7 t -143.15 148.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.467 ' CG2' HD23 ' A' ' 50' ' ' LEU . 25.5 t -125.52 67.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.818 ' HD2' HG21 ' A' ' 58' ' ' VAL . 14.9 mtp85 -41.66 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.84 151.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -68.85 121.3 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.577 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.6 t -122.5 -57.82 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 99.04 -156.64 20.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 152.01 40.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -46.03 143.15 2.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.91 101.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.5 t -162.33 104.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 109.956 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.89 111.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.6 103.01 0.97 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.66 153.89 22.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.734 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -131.75 166.91 20.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.38 95.14 1.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.82 130.69 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t 61.23 121.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.97 112.87 1.03 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -133.77 -58.5 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 63.39 157.65 0.12 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.153 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.66 3.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 m -77.48 -70.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -100.37 145.11 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.026 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 119.12 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 34' ' ' ALA . 15.1 mm -75.38 153.86 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 35' ' ' GLU . 8.1 pt -136.56 153.65 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 15.4 ttp-105 -91.74 102.85 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.21 123.7 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.2 m -81.81 108.52 15.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' HB ' ' A' ' 85' ' ' VAL . 25.2 t -88.64 119.78 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -97.5 116.91 30.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.617 HG22 HG11 ' A' ' 85' ' ' VAL . 3.8 p -112.72 160.11 31.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 18.4 Cg_endo -75.0 47.79 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.789 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 25' ' ' PRO . 3.5 mm-40 -162.82 -56.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.45 -177.0 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.6 p -109.7 139.38 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.309 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.64 110.35 5.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.67 130.89 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -111.28 170.22 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -139.15 100.87 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.47 165.49 25.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.731 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -44.99 138.63 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.2 pt-20 -76.56 -15.93 59.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.45 12.14 23.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.731 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -75.47 111.32 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.6 p-10 -38.23 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.903 HG12 ' HD2' ' A' ' 43' ' ' LYS . 42.4 t -48.5 -52.67 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.59 -63.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -44.43 -55.26 5.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.59 -42.98 45.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.903 ' HD2' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -61.16 -45.21 95.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -55.21 -47.08 75.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.86 -35.73 24.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.919 HG23 HD13 ' A' ' 50' ' ' LEU . 8.2 mt -72.99 -44.92 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.0 p -56.56 -22.43 33.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -70.94 -57.62 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.721 ' HD2' HD12 ' A' ' 50' ' ' LEU . 51.6 t80 -78.85 -70.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.919 HD13 HG23 ' A' ' 46' ' ' ILE . 5.7 mp -42.74 -28.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 84.8 m-70 61.64 50.56 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.4 m -122.75 -166.63 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.55 121.41 44.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.708 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -55.19 -26.96 42.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -25.49 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -102.17 3.26 38.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 86' ' ' VAL . 75.5 mt -98.1 140.74 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.6 131.23 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.808 ' HG ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -91.25 128.06 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.5 mp -137.76 118.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.609 ' O ' HG22 ' A' ' 62' ' ' THR . 33.4 t80 -121.85 113.63 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER 80.53 1.81 1.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.365 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.1 -8.49 45.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -99.12 118.66 36.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.46 146.8 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.599 HD22 ' HG3' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -116.15 176.78 4.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 22.1 mmt180 -119.84 159.34 24.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.79 -32.6 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -80.97 5.42 16.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 39' ' ' VAL . 96.0 m-20 -104.8 134.15 48.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -88.55 138.61 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD11 HD21 ' A' ' 33' ' ' LEU . 20.8 mt -43.95 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.12 -47.85 17.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 71' ' ' ILE . 25.5 mt-30 -51.99 -41.5 62.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HG3' HD22 ' A' ' 66' ' ' LEU . 10.9 mmt180 -75.13 -32.23 61.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.49 -30.75 2.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 48.6 mt -42.98 109.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.22 -166.32 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.26 122.66 24.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.46 48.69 5.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 m -114.28 163.24 15.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -113.75 132.83 55.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.735 HG11 ' CD1' ' A' ' 59' ' ' LEU . 36.7 t -133.46 136.24 54.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -89.0 130.03 35.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.617 HG11 HG22 ' A' ' 24' ' ' THR . 8.6 p -100.21 151.04 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.788 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.6 t -137.5 158.23 34.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 87' ' ' VAL . 13.1 p -148.37 55.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.11 119.39 2.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 t 70.27 112.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 178.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.0 p -126.01 -59.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 133.02 -154.61 21.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -44.79 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t 58.01 79.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.8 t -76.64 80.56 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.71 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 110.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.77 153.66 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.57 144.22 2.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -101.82 -51.96 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 61.08 146.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.736 ' O ' HG12 ' A' ' 8' ' ' VAL . . . 116.41 -93.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 7' ' ' GLY . 6.0 p 50.74 177.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.7 ' H ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 72.92 160.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.32 100.96 2.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.78 161.44 13.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -83.85 151.57 61.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HB2' HD11 ' A' ' 17' ' ' ILE . 18.3 Cg_endo -75.02 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -40.76 15.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.404 ' HB3' ' ND2' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -52.5 159.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.962 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.61 133.64 56.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.488 HG23 ' C ' ' A' ' 33' ' ' LEU . 6.4 mm -89.07 161.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.4 pt -138.55 -178.74 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 62.9 ttp85 -117.93 102.75 9.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 83' ' ' VAL . 48.0 t -107.84 125.34 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' SER . 14.9 m -82.24 109.63 16.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG13 ' HB ' ' A' ' 85' ' ' VAL . 43.3 t -86.81 120.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' HG12 ' A' ' 85' ' ' VAL . 1.6 tppt? -102.44 117.66 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.748 HG22 HG11 ' A' ' 85' ' ' VAL . 8.7 p -110.36 157.98 36.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 63.57 6.05 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 173.94 -53.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -143.1 179.07 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.1 p -118.24 141.45 48.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.275 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.57 166.19 24.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.09 135.32 53.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -124.58 142.19 51.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 56.7 m-85 -123.46 101.04 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.52 165.7 25.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.044 ' HB3' ' OG ' ' A' ' 37' ' ' SER . . . -47.21 131.02 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -67.73 -21.82 65.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 15' ' ' SER . 1.0 OUTLIER -103.64 25.18 10.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 1.044 ' OG ' ' HB3' ' A' ' 34' ' ' ALA . 22.0 m -88.71 111.99 22.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -37.23 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.878 HG12 ' HD2' ' A' ' 43' ' ' LYS . 13.8 t -46.44 -44.82 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -64.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.427 ' H ' ' ND2' ' A' ' 38' ' ' ASN . 18.9 mtt180 -44.08 -55.24 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.52 -36.61 23.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.878 ' HD2' HG12 ' A' ' 39' ' ' VAL . 1.7 mttt -70.77 -43.53 68.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 39.8 mttt -47.44 -39.73 16.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -47.0 86.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.729 HG21 HG21 ' A' ' 85' ' ' VAL . 17.9 mt -63.14 -54.89 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.13 -29.77 33.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.33 -66.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 19.9 t80 -60.35 -51.54 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.69 HD22 ' CG2' ' A' ' 46' ' ' ILE . 7.2 mp -65.67 -13.4 59.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER 39.57 53.63 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.591 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' SG ' HG11 ' A' ' 87' ' ' VAL . 1.5 m -115.8 -97.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.84 127.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.97 -13.15 56.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 5.0 t70 -75.61 -25.14 56.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -109.84 19.32 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 86' ' ' VAL . 35.5 mt -109.24 129.16 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG12 HD11 ' A' ' 60' ' ' ILE . 29.0 t -121.48 135.98 59.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.793 ' CD1' HG11 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -97.11 126.23 42.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.456 HD11 HG12 ' A' ' 58' ' ' VAL . 3.6 mp -138.56 108.11 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.8 ' O ' HG22 ' A' ' 62' ' ' THR . 32.5 t80 -108.31 138.48 44.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.8 HG22 ' O ' ' A' ' 61' ' ' PHE . 13.0 t 52.35 20.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.21 -8.43 79.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -98.54 123.88 42.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.54 148.31 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD12 HD12 ' A' ' 59' ' ' LEU . 25.2 mt -109.91 -159.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -152.14 140.34 20.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 -48.48 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -65.6 -25.73 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.602 ' O ' HG23 ' A' ' 39' ' ' VAL . 88.1 m-20 -82.41 135.08 35.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.3 mp -87.61 164.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 33' ' ' LEU . 14.2 mt -68.25 -70.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -44.61 -55.65 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.08 -46.54 22.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HG3' HD22 ' A' ' 66' ' ' LEU . 7.4 mmt180 -65.82 -38.03 87.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.22 -31.2 1.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.554 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 18.7 mt -41.06 114.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 78' ' ' LEU . 1.4 tp -120.55 -167.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.99 119.78 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.21 3.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -112.68 147.06 37.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.7 m -103.18 111.12 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.793 HG11 ' CD1' ' A' ' 59' ' ' LEU . 19.8 t -113.83 130.89 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -85.13 130.21 34.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.748 HG11 HG22 ' A' ' 24' ' ' THR . 4.9 p -101.51 149.73 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.721 ' O ' HD23 ' A' ' 57' ' ' LEU . 9.0 t -138.63 147.0 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.467 HG11 ' SG ' ' A' ' 52' ' ' CYS . 7.3 t -127.69 64.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 55' ' ' ASP . 11.3 mtm105 -33.6 149.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -169.73 161.79 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 155.6 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.609 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.45 139.39 32.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.42 97.32 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 144.17 30.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m 54.83 87.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.86 82.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t 43.05 78.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.66 95.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.95 -179.35 18.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -174.85 161.99 3.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p -139.12 161.74 36.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.74 165.81 12.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.54 116.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.3 t -172.52 122.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.8 163.72 0.13 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -135.01 137.83 43.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.75 166.55 11.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.91 172.07 8.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.33 161.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 123.87 21.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.521 HG23 ' CA ' ' A' ' 33' ' ' LEU . 13.2 mm -80.19 158.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 7.7 pt -140.76 155.25 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 3.8 ttm180 -92.27 102.87 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.9 127.06 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 m -83.56 111.12 18.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 29' ' ' HIS . 39.6 t -90.55 120.21 39.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -100.55 117.73 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.84 HG22 HG11 ' A' ' 85' ' ' VAL . 16.7 p -110.82 156.77 40.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.38 5.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 177.3 -54.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.9 -175.05 4.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 p -124.14 139.68 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 108.276 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.744 ' CE1' ' CE1' ' A' ' 49' ' ' TYR . 0.7 OUTLIER -140.58 156.06 46.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.556 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.25 125.6 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -112.24 152.6 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 28.8 m-85 -125.1 101.85 7.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -136.26 164.45 28.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.817 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . -41.25 137.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -73.71 -28.84 61.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -95.57 -8.88 33.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.817 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -53.09 119.36 4.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -45.04 155.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.855 HG13 ' HG ' ' A' ' 59' ' ' LEU . 16.2 t -54.13 -51.61 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -38.28 -59.42 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -47.89 -54.12 13.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.95 -42.62 48.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.789 ' HA ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.22 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -49.46 -50.8 39.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -33.67 56.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 43' ' ' LYS . 22.0 mt -74.83 -42.09 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 54.7 p -64.82 -22.75 67.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -73.94 -66.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 29' ' ' HIS . 62.6 t80 -55.53 -73.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.775 HD23 HG23 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 51' ' ' HIS . 0.0 OUTLIER 87.69 27.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.609 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.05 -166.03 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -107.37 114.5 28.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.774 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -50.08 -41.84 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.11 -26.55 27.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -103.04 13.83 33.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 54' ' ' ALA . 95.4 mt -104.95 144.39 31.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG21 ' HD2' ' A' ' 88' ' ' ARG . 21.2 t -130.21 140.76 48.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.855 ' HG ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -97.07 127.52 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.6 mp -137.94 108.11 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' CD1' HG13 ' A' ' 77' ' ' ILE . 31.6 t80 -109.72 109.74 20.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.466 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 81.17 -1.86 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.379 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.17 -19.73 13.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -88.85 125.03 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -71.45 137.73 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.615 HD12 HD12 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -104.96 -178.58 3.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.06 160.44 23.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -65.77 -47.0 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -65.9 -10.18 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 39' ' ' VAL . 92.3 m-20 -93.19 135.08 34.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 72' ' ' LEU . 1.7 mp -85.25 164.56 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.623 HD11 HD21 ' A' ' 33' ' ' LEU . 16.4 mt -67.8 -70.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 76' ' ' GLY . 28.0 p -46.18 -56.26 5.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -46.39 -35.68 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' CG ' HD22 ' A' ' 66' ' ' LEU . 6.9 mmt180 -81.46 -27.6 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' SER . . . 134.66 -37.02 2.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 61' ' ' PHE . 28.6 mt -40.47 112.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.27 -168.48 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 124.77 24.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.59 51.04 6.18 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.8 m -112.88 158.14 20.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.3 m -112.24 123.14 49.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 59' ' ' LEU . 21.3 t -124.18 130.01 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -81.9 130.91 35.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.84 HG11 HG22 ' A' ' 24' ' ' THR . 6.1 p -102.29 149.79 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.0 t -142.08 153.57 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -130.25 67.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.532 ' HD2' HG21 ' A' ' 58' ' ' VAL . 1.2 mtp85 -40.29 159.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.2 m -110.59 169.9 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -144.15 98.28 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.618 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.05 89.69 8.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -168.63 95.72 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.55 31.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m 54.98 95.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.63 92.29 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -105.65 96.78 6.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -143.73 -58.78 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.958 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.01 139.85 39.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.489 ' HB3' HG21 ' A' ' 8' ' ' VAL . 1.3 t -137.88 151.47 48.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -94.47 139.09 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 64.75 2.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.489 HG21 ' HB3' ' A' ' 5' ' ' SER . 76.3 t -137.46 108.56 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 p -159.13 159.77 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.51 152.4 8.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.11 167.77 20.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -171.8 151.14 2.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 79.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.0 p -115.57 151.26 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.411 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 3.7 m 57.61 159.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.08 141.87 57.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.48 HG23 ' CA ' ' A' ' 33' ' ' LEU . 8.1 mm -90.86 157.78 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 35' ' ' GLU . 6.3 pt -139.77 153.5 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' HG3' ' CE1' ' A' ' 32' ' ' PHE . 18.8 ttt180 -92.41 102.57 15.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.24 118.68 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m -75.65 110.31 9.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.422 HG13 ' HB ' ' A' ' 85' ' ' VAL . 40.2 t -89.98 120.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -99.81 117.76 34.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.741 HG22 HG11 ' A' ' 85' ' ' VAL . 8.1 p -112.6 157.94 38.86 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 179.47 -57.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.85 -175.84 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 p -123.76 138.07 54.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -133.69 164.87 26.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -127.43 113.88 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -101.17 150.81 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.542 ' CE1' ' HG3' ' A' ' 19' ' ' ARG . 23.8 m-85 -127.95 101.59 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.772 HD13 ' H ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.71 165.66 25.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.6 ' O ' HD22 ' A' ' 33' ' ' LEU . . . -43.62 140.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 6.0 pt-20 -77.33 -11.92 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -111.38 0.19 16.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -62.79 111.63 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.2 p-10 -39.19 154.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.764 HG12 ' HD2' ' A' ' 43' ' ' LYS . 5.3 t -53.17 -51.78 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.402 ' CD ' ' HB2' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -39.14 -58.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -50.67 -54.14 25.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' CD2' HD11 ' A' ' 59' ' ' LEU . 1.7 t80 -50.37 -33.54 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.764 ' HD2' HG12 ' A' ' 39' ' ' VAL . 5.0 mttt -72.46 -44.16 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.7 -50.13 61.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -43.95 47.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.101 HG23 HD13 ' A' ' 50' ' ' LEU . 14.5 mt -64.39 -54.53 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 p -46.95 -34.32 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -64.06 -68.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.577 ' HD2' HD12 ' A' ' 50' ' ' LEU . 62.3 t80 -60.13 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.101 HD13 HG23 ' A' ' 46' ' ' ILE . 6.4 mp -44.59 -27.09 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 49' ' ' TYR . 81.3 m-70 65.0 50.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.671 ' SG ' HD21 ' A' ' 57' ' ' LEU . 24.4 p -132.23 -170.4 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -99.46 135.54 40.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -68.3 -16.8 64.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.27 -16.15 60.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -111.92 4.03 17.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 86' ' ' VAL . 87.1 mt -96.05 138.46 33.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.7 t -130.04 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -97.49 129.4 44.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.92 106.91 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CD1' ' CG1' ' A' ' 77' ' ' ILE . 33.4 t80 -111.17 109.64 19.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.528 ' CB ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 85.09 -32.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.413 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.02 -18.89 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -87.4 117.75 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.36 128.69 33.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 59' ' ' LEU . 16.8 mt -81.06 -149.81 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -139.61 -92.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' HB2' ' CD ' ' A' ' 40' ' ' ARG . 0.2 OUTLIER -172.9 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -84.85 9.94 12.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . 1.5 m-20 -98.2 141.99 30.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.3 mp -90.09 139.48 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD11 HD21 ' A' ' 33' ' ' LEU . 23.1 mt -52.11 -70.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 t -42.0 -46.77 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 71' ' ' ILE . 3.7 mt-30 -50.41 -55.94 13.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' HD22 ' A' ' 66' ' ' LEU . 46.2 mmt-85 -60.4 -38.23 83.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.91 -22.66 2.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.575 ' CG1' ' CD1' ' A' ' 61' ' ' PHE . 39.5 mt -47.69 105.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 tp -108.6 -161.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.6 137.52 36.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.26 33.7 68.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 m -98.59 163.74 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.776 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -114.26 130.33 56.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.726 HG11 ' CD1' ' A' ' 59' ' ' LEU . 22.5 t -131.26 129.19 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -82.65 133.49 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.741 HG11 HG22 ' A' ' 24' ' ' THR . 8.6 p -103.13 153.22 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.785 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.1 t -142.59 155.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG22 ' CD2' ' A' ' 57' ' ' LEU . 1.9 t -145.57 57.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -48.48 177.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.61 172.1 6.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 86.99 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.02 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.17 135.28 4.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 94.12 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t 56.29 108.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.71 86.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 stop_ save_