data_1v80_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 1v80 _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 ' 1' ' ' MET . . . . . . . . . . . . . 7.9 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.539 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -121.2 97.55 5.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 65' ' ' SER . 2.3 pp -90.18 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 54.6 m-85 -128.12 175.61 8.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.43 ' CG2' HD23 ' A' ' 15' ' ' LEU . 67.5 t -143.79 137.34 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -111.33 108.99 18.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' HG21 ' A' ' 9' ' ' THR . 11.8 p -80.29 -171.3 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.84 -33.79 76.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.409 HG21 ' OG1' ' A' ' 7' ' ' THR . 0.5 OUTLIER -79.68 -5.98 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.27 -21.31 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -37.18 136.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 115.39 30.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.03 125.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -80.11 144.98 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD23 ' CG2' ' A' ' 5' ' ' VAL . 2.6 mm? -130.94 159.63 36.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 61.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 26' ' ' VAL . 3.3 m -92.0 -172.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 7.1 pt-20 -127.72 160.68 59.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 57' ' ' SER . 18.2 Cg_endo -75.03 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -109.4 -6.36 15.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.28 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.3 m -124.53 168.32 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.451 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 56' ' ' LEU . 12.5 mm -65.5 -50.27 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.1 -24.03 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.68 -31.13 41.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.559 ' CG1' ' CD1' ' A' ' 43' ' ' LEU . 75.2 t -72.8 -52.49 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 30' ' ' ILE . 32.9 mtpt -54.46 -44.21 72.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.58 -31.97 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 20.1 mttt -77.31 -31.77 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 27' ' ' LYS . 12.1 mm -72.0 -21.39 20.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.766 HE21 ' NE2' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -66.32 -51.16 60.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.1 t0 -82.06 -49.96 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -37.79 -48.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.23 -27.19 13.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 88.54 17.97 55.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 37' ' ' PRO . 1.6 mt -96.66 148.81 34.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.499 ' N ' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.04 149.88 37.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -67.54 -30.97 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.87 47.6 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.766 ' NE2' HE21 ' A' ' 31' ' ' GLN . 3.6 mt-30 -125.78 144.98 50.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -160.23 101.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.559 ' CD1' ' CG1' ' A' ' 26' ' ' VAL . 9.5 mt -81.7 127.26 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.3 mt -126.48 143.72 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 10.7 t80 -121.38 143.55 49.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.05 43.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.49 44.04 45.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.06 144.55 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.31 135.4 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -107.44 154.58 21.13 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 17.1 mt-10 -123.78 150.42 44.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -78.27 -3.19 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.69 -21.4 14.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.4 mmt180 -79.5 -170.49 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.91 159.89 43.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.37 -52.71 63.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 31.1 p -59.68 -20.83 58.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -19.89 23.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.5 m-85 -97.63 -1.96 42.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.1 m-80 78.71 7.42 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.614 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 51.4 mt -63.71 137.34 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -130.24 -158.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 149.11 27.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 3.7 mt-10 69.13 10.9 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 m -76.8 128.68 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.5 m -99.57 132.04 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -100.32 -170.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ILE . 11.6 m-70 -133.01 119.86 20.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.542 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 tp -107.41 108.66 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.466 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 64' ' ' GLU . 2.5 mt-30 -115.19 113.72 24.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.482 HD11 ' CG2' ' A' ' 17' ' ' VAL . 10.7 pt -105.72 159.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -122.84 -177.37 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.56 144.52 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.5 mttt -118.04 125.21 49.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.0 p -80.07 -154.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -77.54 -38.09 49.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 10' ' ' GLY . 6.2 t -77.28 -55.41 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.377 1.048 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' HG21 ' A' ' 9' ' ' THR . . . 138.17 43.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 110.99 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -81.19 105.78 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.05 120.6 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -79.19 142.2 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 3' ' ' ILE . 1.5 mm? -123.92 164.14 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.01 61.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.223 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.482 ' CG2' HD11 ' A' ' 3' ' ' ILE . 17.6 m -99.46 -175.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.381 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -122.95 172.64 5.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -75.03 -18.2 18.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -94.14 -13.34 26.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.56 -175.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.8 m -127.5 171.4 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.0 mm -68.66 -47.95 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -58.18 -19.32 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -33.14 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG21 ' CG1' ' A' ' 17' ' ' VAL . 91.1 t -73.05 -57.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -50.19 -45.21 53.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.13 -33.83 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 16.4 mtpt -78.09 -33.51 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LYS . 14.0 mm -68.71 -23.46 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.511 HE21 ' NE2' ' A' ' 41' ' ' GLN . 2.3 mp0 -63.02 -48.09 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.4 t0 -89.21 -50.84 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -37.26 -41.33 0.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.99 -48.26 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 110.251 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 108.32 26.36 5.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 37' ' ' PRO . 1.5 mp -112.5 147.07 36.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.503 ' N ' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 153.0 41.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.59 7.57 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -24.94 63.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.46 -25.4 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' HE21 ' A' ' 31' ' ' GLN . 5.1 mm-40 -55.56 146.42 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -160.21 96.32 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.46 ' CD2' HG13 ' A' ' 26' ' ' VAL . 3.4 tp -79.28 127.74 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -136.06 119.85 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' LYS . 13.0 t80 -97.67 139.05 34.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.8 40.36 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.27 37.01 71.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -126.04 142.15 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.81 131.47 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.62 -175.33 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' N ' ' HH ' ' A' ' 59' ' ' TYR . 4.8 mt-10 -160.23 146.34 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 2.9 p30 -74.77 -4.97 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.26 -25.18 12.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.572 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -79.68 -170.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.402 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -153.06 158.19 41.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 1.1 mt -57.57 -53.44 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -60.87 -17.78 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -91.9 -26.16 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -97.03 13.29 29.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 20.3 t30 63.13 13.54 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 56' ' ' LEU . 44.2 mt -63.9 128.05 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.6 mm-40 -126.5 152.87 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -39.88 140.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLN . 5.1 mt-10 76.4 36.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -102.41 121.99 43.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -93.34 122.28 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -90.12 -175.44 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -130.55 109.43 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.644 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . 5.1 tp -91.44 117.05 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.447 0.165 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -146.01 108.8 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -109.04 177.97 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -133.09 179.11 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.082 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.43 HG23 ' CD2' ' A' ' 15' ' ' LEU . 70.4 t -146.34 135.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -103.48 120.29 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.412 HG22 ' CD2' ' A' ' 69' ' ' LEU . 30.5 p -95.28 158.3 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -54.93 -28.32 50.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.63 1.206 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.64 -1.09 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.72 39.14 49.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.31 145.52 29.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.67 123.73 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -81.07 146.53 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD2' HG23 ' A' ' 5' ' ' VAL . 2.8 mm? -132.33 149.21 52.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.75 62.04 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 26' ' ' VAL . 19.3 m -101.09 143.1 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -78.18 160.52 73.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.81 14.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -104.94 -14.8 15.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -166.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.44 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 91.4 m -127.45 171.78 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 56' ' ' LEU . 18.5 mm -69.77 -40.95 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.219 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -61.85 -24.77 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.215 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 22' ' ' THR . 1.6 m120 -81.57 -27.43 34.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 43' ' ' LEU . 73.8 t -77.95 -49.12 22.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ILE . 20.8 mtpt -56.74 -47.61 79.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.92 -34.25 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.6 mttm -72.8 -35.04 67.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' LYS . 16.3 mm -66.9 -25.46 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 83.5 mm-40 -62.18 -63.25 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.8 t0 -68.71 -49.45 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmpt? -35.68 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.91 -50.04 11.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 112.07 40.94 1.12 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 37' ' ' PRO . 5.8 mt -123.01 145.62 46.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.622 0.836 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.06 161.39 38.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.0 Cg_endo -75.03 1.6 7.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -13.0 59.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -139.21 25.95 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 4.6 mt-30 -122.63 143.66 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -160.06 103.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 26' ' ' VAL . 9.5 mt -79.74 135.17 36.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.354 1.033 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -139.8 139.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 10.7 t80 -119.54 140.13 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.3 48.7 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.46 44.24 11.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.74 132.03 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.35 120.6 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.434 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -90.67 158.61 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 28.3 mt-10 -129.46 148.45 51.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 1.8 p30 -75.85 -3.46 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.32 -19.56 16.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -80.92 -165.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.65 165.19 32.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -70.24 -50.7 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.616 1.197 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -61.52 -16.62 49.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.455 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 1.2 m-20 -90.52 -38.2 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.5 m-85 -79.8 1.51 26.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.8 m-80 79.35 5.86 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.463 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 51.4 mt -59.01 136.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 22.7 pt20 -133.17 -157.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -81.66 142.38 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.33 14.97 7.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 4.0 m -80.44 105.3 11.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.9 m -79.08 139.58 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -103.84 -172.98 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.9 m-70 -132.02 109.71 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' CD2' HG22 ' A' ' 7' ' ' THR . 18.2 tp -93.83 104.78 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.13 101.9 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' LEU . 9.4 pt -90.98 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -135.91 172.77 12.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.2 t -137.46 138.57 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -111.09 111.61 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 p -85.16 176.48 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.3 mm? -57.78 -35.79 71.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -80.45 -12.58 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.54 -9.74 66.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.46 130.97 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.268 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -99.7 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG2' ' HE3' ' A' ' 33' ' ' LYS . 5.4 mp -109.89 118.83 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 m -80.03 140.84 36.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.396 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 3' ' ' ILE . 2.9 mm? -134.26 135.53 42.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -107.51 74.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 3' ' ' ILE . 3.3 m -109.66 145.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -77.8 158.7 77.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.59 19.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -100.39 -6.95 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.09 -169.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.5 m -125.14 169.97 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 HD13 ' CD2' ' A' ' 56' ' ' LEU . 5.6 mm -65.76 -49.67 75.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -55.42 -23.27 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -28.21 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 43' ' ' LEU . 68.9 t -78.52 -46.54 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -61.47 -46.52 89.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.13 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 5.4 mtpm? -76.24 -31.24 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' LYS . 15.4 mm -71.89 -18.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.6 mm-40 -70.15 -66.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -40.48 97.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 11.5 mmmt -42.87 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -57.46 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.95 50.28 0.22 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 37' ' ' PRO . 3.6 mt -130.49 145.77 58.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' N ' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 158.78 41.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.99 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.23 -21.71 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -119.53 -28.99 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 5.7 mt-30 -69.06 146.07 52.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -160.47 102.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 10.7 mt -79.67 133.7 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.1 mt -135.35 139.77 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.586 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 16.2 t80 -125.99 137.14 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.97 49.96 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.95 43.72 5.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 141.31 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 137.85 58.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -112.29 135.29 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.02 164.34 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -83.29 -0.65 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.8 -18.92 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 13.8 mmt180 -91.82 -170.88 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.404 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -147.68 162.55 38.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.407 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 2.4 mt -62.0 -51.62 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 t -62.46 -19.88 63.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.058 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 0.7 OUTLIER -90.55 -25.44 20.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 50' ' ' LEU . 3.7 m-85 -91.67 0.27 57.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.2 m-20 80.34 4.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.586 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 56.7 mt -61.36 135.63 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.28 -160.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 74.42 3.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.224 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -70.5 108.36 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.6 m -79.37 138.96 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -102.86 -174.9 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.9 m-70 -130.59 117.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 tp -99.7 118.75 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 12.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.442 0.163 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -113.42 140.93 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.32 179.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.406 ' CE1' HG23 ' A' ' 14' ' ' THR . 39.7 m-85 -140.88 -173.18 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -161.18 147.22 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.92 121.82 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.5 p -97.89 163.3 12.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.21 -28.77 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -83.13 7.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.19 52.01 55.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 126.94 55.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 m -92.64 106.21 18.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.08 125.22 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.406 HG23 ' CE1' ' A' ' 4' ' ' PHE . 4.1 m -79.04 148.07 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' CD1' HD13 ' A' ' 30' ' ' ILE . 5.0 mt -142.6 135.94 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.42 80.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 56' ' ' LEU . 13.3 m -104.04 -176.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -121.05 167.59 12.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -18.34 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -93.15 -14.98 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -173.52 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.9 m -131.58 172.68 11.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.443 HD13 ' CD2' ' A' ' 50' ' ' LEU . 40.8 mm -71.31 -50.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 9.2 pt-20 -52.77 -24.7 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -80.02 -41.8 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.425 ' CG1' HD23 ' A' ' 43' ' ' LEU . 71.6 t -63.84 -49.52 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ILE . 13.2 mtpt -55.51 -48.01 75.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.41 -27.15 5.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.91 -29.93 44.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 27' ' ' LYS . 11.7 mm -73.86 -25.03 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 80.7 mm-40 -61.55 -44.91 96.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.2 t0 -90.05 -53.29 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 1.4 mmpt? -36.37 -52.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' OE2' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.59 -46.59 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 105.28 21.49 8.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.498 HG21 ' N ' ' A' ' 37' ' ' PRO . 4.0 mt -103.7 146.67 32.95 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 0.741 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 18.1 Cg_endo -75.03 162.01 37.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.18 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.62 46.68 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 3.3 mm-40 -130.53 139.95 50.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -159.79 111.71 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD23 ' CG1' ' A' ' 26' ' ' VAL . 4.6 tp -81.59 135.02 35.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mt -141.52 123.54 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 17.6 t80 -110.82 136.39 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.86 59.86 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 37.67 43.69 1.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 147.51 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.68 144.6 47.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -105.52 -177.29 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -154.19 147.73 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 3.3 p-10 -75.18 -14.04 60.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.56 -19.52 37.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.6 mmt180 -79.67 -170.65 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.34 161.16 43.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 1.2 mt -62.96 -52.44 63.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 t -61.6 -17.01 53.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.75 -26.26 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CZ ' HD13 ' A' ' 50' ' ' LEU . 2.3 m-85 -95.02 1.75 55.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 7.4 m-80 76.03 7.05 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 49.9 mt -57.89 136.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.33 -152.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -83.43 152.36 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 57.2 38.11 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 m -99.75 103.0 14.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.7 m -78.77 127.76 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -91.27 -173.89 3.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ILE . 15.0 m-70 -132.99 109.68 9.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tp -93.16 117.43 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -140.23 106.69 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.514 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 8.3 pt -102.41 170.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.528 ' CE1' HG22 ' A' ' 14' ' ' THR . 49.7 m-85 -134.04 -172.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 6' ' ' LYS . 3.0 p -160.85 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 5' ' ' VAL . 18.3 mttt -121.47 118.37 29.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.38 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.466 ' OG1' ' CG2' ' A' ' 9' ' ' THR . 1.4 p -88.13 -167.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.2 mt -80.18 -27.33 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 1.1 t -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.79 3.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 122.89 44.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 109.229 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -87.86 105.75 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.63 123.26 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.528 HG22 ' CE1' ' A' ' 4' ' ' PHE . 2.0 m -78.88 148.18 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' A' ' 30' ' ' ILE . 5.0 mt -141.96 145.45 34.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.12 77.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.514 ' CG2' ' CD1' ' A' ' 3' ' ' ILE . 15.0 m -119.15 135.11 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -72.94 173.7 5.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.0 Cg_endo -74.93 -17.02 20.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -89.25 -20.32 24.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.964 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.35 176.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 63.5 m -122.04 167.45 13.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.3 mm -66.92 -52.09 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.96 -22.57 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -40.1 25.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG1' HD22 ' A' ' 43' ' ' LEU . 96.0 t -64.64 -56.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -50.48 -46.87 57.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.69 -33.08 6.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.2 mttp -78.74 -33.73 46.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.495 HD12 ' CD1' ' A' ' 15' ' ' LEU . 15.4 mm -68.27 -23.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.46 HE21 ' NE2' ' A' ' 41' ' ' GLN . 3.9 mp0 -66.62 -49.56 65.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LYS . 5.2 t0 -84.17 -49.19 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 2.7 mmpt? -37.75 -63.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.18 31.28 1.74 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 37' ' ' PRO . 1.1 mp -117.05 148.53 42.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.04 151.49 39.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.43 7.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -24.44 63.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -119.04 -25.67 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.46 ' NE2' HE21 ' A' ' 31' ' ' GLN . 5.4 mm-40 -54.65 149.37 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.41 100.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 ' CG1' ' A' ' 26' ' ' VAL . 6.5 tp -79.48 131.48 36.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.85 119.94 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 14.3 t80 -100.33 139.49 35.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.2 46.64 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.94 38.21 30.6 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' PHE . 3.1 ttmm -129.19 140.27 51.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 0.829 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 142.28 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.57 -176.83 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 4.8 mt-10 -158.08 146.86 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' O ' ' CG2' ' A' ' 22' ' ' THR . 13.5 p-10 -75.06 -23.8 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.69 -13.99 74.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.558 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -86.23 -166.61 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.14 165.54 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -69.16 -53.09 21.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t -57.16 -21.74 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 12.9 m-20 -89.29 -33.38 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 1.9 m-85 -83.65 9.15 12.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 18.5 t30 65.42 14.18 9.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 29.9 mt -62.51 131.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' LYS . 3.0 mt-30 -125.18 149.85 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -39.1 146.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 72.13 22.68 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.6 126.36 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.1 m -99.63 123.26 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -87.92 -177.83 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -132.32 111.52 11.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 tp -92.79 118.04 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -126.83 94.79 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 17' ' ' VAL . 1.2 pt -82.71 -175.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.373 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 46.4 m-85 -144.95 -171.37 3.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 15' ' ' LEU . 52.4 t -150.43 138.5 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.31 114.53 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.389 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.2 p -93.31 170.45 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.411 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 3.5 mm? -53.84 -36.75 62.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -79.85 0.1 32.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 83.46 -10.87 57.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -39.66 137.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -110.96 100.29 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 3.0 mp -94.08 116.77 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 m -79.44 149.49 31.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 HD12 ' CG2' ' A' ' 5' ' ' VAL . 5.4 mt -143.0 161.81 37.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -131.52 63.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 3' ' ' ILE . 4.2 m -87.59 -172.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -130.39 171.17 9.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.09 9.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.4 m -84.26 -13.6 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -172.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 77.6 m -133.07 168.24 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.435 HD11 ' CD2' ' A' ' 56' ' ' LEU . 15.4 mm -67.39 -50.89 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -54.45 -21.96 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.84 -37.12 27.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 ' CG1' ' A' ' 17' ' ' VAL . 70.5 t -69.74 -50.1 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' ILE . 2.3 mtpm? -57.22 -45.97 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.39 -28.91 8.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 57.3 mttp -78.16 -29.15 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' LYS . 9.9 mm -76.2 -29.54 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 86.9 mm-40 -56.89 -46.09 82.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.82 -53.3 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 17.5 mmmt -40.81 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -57.72 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 112.04 33.07 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 HG21 ' N ' ' A' ' 37' ' ' PRO . 2.3 mp -122.58 147.08 49.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.513 ' N ' HG21 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 162.36 37.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.99 1.38 7.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.441 1.759 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.74 -21.07 57.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -121.05 -24.55 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 5.9 mt-30 -73.33 146.13 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -160.3 105.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -79.65 133.38 36.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -142.18 127.24 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 11.1 t80 -112.0 136.73 50.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.38 52.87 5.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.17 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -123.21 135.99 54.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 0.811 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 139.6 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -107.68 146.13 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 1.2 mt-10 -121.77 151.5 40.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 22' ' ' THR . 5.8 p-10 -76.48 -18.19 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 -16.87 59.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -83.14 -168.5 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.23 160.71 42.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.355 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -64.78 -53.52 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -54.27 -24.28 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -88.51 -33.34 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.2 m-85 -82.7 8.31 12.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 19.6 t30 63.28 15.45 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 31.2 mt -64.01 133.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.0 mm100 -119.14 -173.28 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 149.15 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 65.82 10.84 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 43.0 m -75.92 107.1 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.3 m -79.24 137.86 37.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.38 -171.4 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.8 m-70 -131.93 110.71 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -96.27 104.94 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 22.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ptm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.455 0.169 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -120.3 106.84 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 65' ' ' SER . 2.3 pp -98.7 168.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.528 ' CE1' HG21 ' A' ' 14' ' ' THR . 37.4 m-85 -131.18 -169.3 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -160.73 144.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -112.78 113.01 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.436 ' OG1' HG22 ' A' ' 9' ' ' THR . 10.1 p -80.8 178.79 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.59 -33.64 70.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.436 HG22 ' OG1' ' A' ' 7' ' ' THR . 1.0 OUTLIER -80.21 -15.5 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 99.41 -27.36 20.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -35.23 128.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.44 123.19 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mp -112.3 126.13 69.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.528 HG21 ' CE1' ' A' ' 4' ' ' PHE . 2.1 m -81.54 145.66 30.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 30' ' ' ILE . 1.9 mm? -127.09 169.5 13.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.82 55.83 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG1' HG21 ' A' ' 26' ' ' VAL . 12.5 m -91.69 -171.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -128.85 165.09 34.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -17.6 19.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 m -95.6 -8.58 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -174.34 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 87.1 m -117.49 171.59 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 56' ' ' LEU . 3.0 mm -70.01 -50.4 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.91 -19.39 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -80.47 -24.56 39.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 43' ' ' LEU . 94.4 t -82.09 -50.81 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -58.37 -42.69 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.59 22.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.4 mttm -76.84 -32.83 57.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 15' ' ' LEU . 6.7 mm -74.2 -26.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 4.3 mp0 -59.1 -49.13 79.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -84.35 -53.78 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 10.3 mmmt -36.39 -62.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.478 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -80.39 -54.94 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.96 2.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG21 ' N ' ' A' ' 37' ' ' PRO . 4.0 mt -117.3 146.17 37.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.506 ' N ' HG21 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.03 156.51 42.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 1.81 7.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.419 1.747 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.2 -19.07 58.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -121.49 -28.13 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 6.2 mt-30 -64.58 149.19 49.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -160.32 103.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 26' ' ' VAL . 5.7 tp -79.05 124.84 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mm -128.63 119.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.642 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 7.6 t80 -108.88 138.99 44.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 39.61 47.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.23 63.87 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -157.43 128.88 6.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.18 138.38 16.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.75 172.12 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -167.82 155.94 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 22' ' ' THR . 1.0 OUTLIER -72.05 -41.16 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.59 -27.21 1.98 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -96.9 -171.34 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.97 158.68 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 3.0 mt -54.61 -57.17 12.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -58.77 -16.22 15.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' OD1' ' NH1' ' A' ' 54' ' ' ARG . 1.1 t70 -90.51 -38.0 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.47 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 3.0 m-85 -81.72 5.74 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 80.02 -0.19 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 63.8 mt -57.33 140.82 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.35 -167.21 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 136.04 46.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 70.84 43.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.1 m -108.67 104.47 13.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -78.88 124.09 27.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -88.22 -179.17 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ILE . 12.2 m170 -123.67 101.66 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . 12.5 tp -87.85 111.44 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.473 ' HE1' ' CD ' ' A' ' 19' ' ' PRO . 8.8 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.458 0.17 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -118.78 94.97 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' LEU . 8.5 pt -94.31 161.14 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 24.7 m-85 -123.29 178.73 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -157.46 144.11 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -107.58 119.26 38.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -92.13 -176.64 4.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 2.0 mm? -53.33 -41.22 65.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.21 -18.68 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 96.48 -18.81 56.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -36.77 119.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -80.04 112.84 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.04 122.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -79.84 143.07 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ILE . 2.0 mm? -129.18 130.77 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.369 1.043 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.81 69.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' CG2' HD13 ' A' ' 3' ' ' ILE . 4.6 m -104.29 -172.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 8.5 pt-20 -122.58 160.08 50.12 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' CD ' ' HE1' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.0 0.29 9.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -112.59 -3.7 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.608 1.193 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.79 -170.73 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 87.2 m -123.55 169.54 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 56' ' ' LEU . 15.9 mm -68.89 -48.4 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -55.04 -23.2 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.76 -32.66 41.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG22 ' CG1' ' A' ' 17' ' ' VAL . 74.0 t -73.01 -54.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -52.86 -45.02 67.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.09 -32.7 16.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -77.02 -30.34 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' LYS . 19.3 mm -71.43 -25.46 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.784 HE21 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -60.45 -49.98 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -83.7 -53.86 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -36.13 -50.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -39.04 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.226 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 97.55 22.09 17.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -105.72 150.13 38.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' N ' HG22 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.99 149.39 36.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.98 8.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -30.05 69.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.39 40.12 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.784 ' NE2' HE21 ' A' ' 31' ' ' GLN . 3.6 mt-30 -114.59 144.79 42.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -159.61 107.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.72 128.89 33.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -130.4 119.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.617 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 4.3 t80 -107.09 140.14 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 38.78 52.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.99 50.7 11.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.77 150.96 44.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.48 134.04 37.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.55 163.0 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 6.3 mt-10 -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 7.8 p-10 -77.7 -10.03 59.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.34 -21.25 32.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.581 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -81.52 -168.87 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 0.772 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.402 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -145.83 163.22 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -64.75 -55.82 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 11.9 t -58.49 -17.57 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -90.54 -36.06 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -85.2 12.16 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.1 t30 70.63 6.78 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 56' ' ' LEU . 88.5 mt -65.71 134.72 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -143.83 -158.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 135.18 40.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.0 mt-10 73.32 38.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 m -99.48 105.73 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -85.12 116.0 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.617 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.8 mp -98.92 -165.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' ILE . 10.5 m-70 -133.07 134.97 45.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD23 ' CG2' ' A' ' 30' ' ' ILE . 5.4 tp -114.93 104.16 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.478 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 6.4 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.449 0.166 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' GLU . 40.0 mt-30 -136.33 160.22 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.485 HD12 ' CG2' ' A' ' 17' ' ' VAL . 5.5 pt -150.6 173.03 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CE1' HG22 ' A' ' 14' ' ' THR . 54.9 m-85 -137.0 -172.6 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 6' ' ' LYS . 1.4 p -160.17 154.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' HG21 ' A' ' 5' ' ' VAL . 14.6 mttt -121.72 112.59 18.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.4 p -85.54 -169.21 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.1 mm? -63.87 -38.76 92.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -10.32 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 89.95 -17.72 51.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -36.33 120.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.238 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -90.27 106.58 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.52 125.44 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.515 HG22 ' CE1' ' A' ' 4' ' ' PHE . 11.1 m -80.71 152.78 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' HD13 ' A' ' 30' ' ' ILE . 7.1 mt -142.52 152.21 42.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.89 73.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.485 ' CG2' HD12 ' A' ' 3' ' ' ILE . 14.2 m -109.84 164.62 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -99.33 165.85 14.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' SER . 18.1 Cg_endo -74.98 -13.21 21.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -97.22 -15.18 20.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.75 -172.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.9 m -126.68 167.27 15.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mm -66.46 -47.66 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.85 -21.85 22.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -34.24 31.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' HD23 ' A' ' 43' ' ' LEU . 98.0 t -70.94 -56.93 9.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' ILE . 3.5 mtpt -51.27 -44.77 61.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.206 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.1 -31.7 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 13.9 mttt -79.27 -29.44 42.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.487 HD13 ' CD1' ' A' ' 15' ' ' LEU . 13.9 mm -73.41 -20.3 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.575 HE21 ' NE2' ' A' ' 41' ' ' GLN . 1.4 mp0 -66.77 -47.2 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -87.43 -50.13 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -36.72 -57.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -89.2 -55.37 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.3 32.38 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' N ' ' A' ' 37' ' ' PRO . 1.1 mp -119.12 148.52 45.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.495 ' N ' HG22 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.04 154.02 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.64 7.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -25.38 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -118.19 -25.86 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.575 ' NE2' HE21 ' A' ' 31' ' ' GLN . 5.6 mm-40 -53.14 148.12 8.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.6 101.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD23 ' CG1' ' A' ' 26' ' ' VAL . 5.6 tp -79.4 127.07 31.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.81 124.45 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.53 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 16.7 t80 -114.53 137.15 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 40.48 48.59 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.03 49.11 18.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -140.44 138.59 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.61 139.29 58.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.528 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -111.01 157.81 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -147.04 161.72 40.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 53' ' ' GLY . 39.7 p30 -78.94 -14.4 59.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -80.6 -10.84 84.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.605 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.44 -168.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.407 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -150.91 164.2 36.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 2.1 mt -64.52 -51.82 60.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 30.2 t -61.61 -19.5 62.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 3.1 m-20 -90.27 -33.54 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -86.19 12.32 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 23.6 t30 68.02 10.86 8.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.53 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -68.49 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -131.55 -152.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 145.26 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 2' ' ' GLN . 8.6 mt-10 65.3 18.31 11.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 14.3 m -76.11 103.96 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.1 m -79.38 126.03 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -93.83 -171.65 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -137.52 111.08 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tp -94.3 118.28 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 9.7 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.539 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -121.2 97.55 5.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 65' ' ' SER . 2.3 pp -90.18 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 54.6 m-85 -128.12 175.61 8.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.43 ' CG2' HD23 ' A' ' 15' ' ' LEU . 67.5 t -143.79 137.34 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -111.33 108.99 18.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.409 ' OG1' HG21 ' A' ' 9' ' ' THR . 11.8 p -80.29 -171.3 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.84 -33.79 76.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 HG21 ' OG1' ' A' ' 7' ' ' THR . 0.5 OUTLIER -79.68 -5.98 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.27 -21.31 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -37.18 136.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 115.39 30.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 mp -107.03 125.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -80.11 144.98 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD23 ' CG2' ' A' ' 5' ' ' VAL . 2.6 mm? -130.94 159.63 36.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 61.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 26' ' ' VAL . 3.3 m -92.0 -172.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 7.1 pt-20 -127.72 160.68 59.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 57' ' ' SER . 18.2 Cg_endo -75.03 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -109.4 -6.36 15.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.28 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.3 m -124.53 168.32 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.451 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.436 HD11 ' CD2' ' A' ' 56' ' ' LEU . 12.5 mm -65.5 -50.27 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.1 -24.03 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.68 -31.13 41.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.559 ' CG1' ' CD1' ' A' ' 43' ' ' LEU . 75.2 t -72.8 -52.49 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 30' ' ' ILE . 32.9 mtpt -54.46 -44.21 72.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.58 -31.97 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 20.1 mttt -77.31 -31.77 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 27' ' ' LYS . 12.1 mm -72.0 -21.39 20.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.766 HE21 ' NE2' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -66.32 -51.16 60.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.1 t0 -82.06 -49.96 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -37.79 -48.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.23 -27.19 13.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 88.54 17.97 55.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 37' ' ' PRO . 1.6 mt -96.66 148.81 34.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.499 ' N ' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.04 149.88 37.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -67.54 -30.97 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.87 47.6 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.766 ' NE2' HE21 ' A' ' 31' ' ' GLN . 3.6 mt-30 -125.78 144.98 50.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -160.23 101.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.559 ' CD1' ' CG1' ' A' ' 26' ' ' VAL . 9.5 mt -81.7 127.26 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.3 mt -126.48 143.72 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 10.7 t80 -121.38 143.55 49.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.05 43.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.49 44.04 45.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.06 144.55 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.31 135.4 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -107.44 154.58 21.13 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 17.1 mt-10 -123.78 150.42 44.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -78.27 -3.19 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.69 -21.4 14.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.4 mmt180 -79.5 -170.49 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.91 159.89 43.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' CD2' HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.37 -52.71 63.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 31.1 p -59.68 -20.83 58.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -19.89 23.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.5 m-85 -97.63 -1.96 42.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.1 m-80 78.71 7.42 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.614 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 51.4 mt -63.71 137.34 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -130.24 -158.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 149.11 27.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 3.7 mt-10 69.13 10.9 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 m -76.8 128.68 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.5 m -99.57 132.04 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -100.32 -170.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ILE . 11.6 m-70 -133.01 119.86 20.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.542 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.3 tp -107.41 108.66 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.9 m -120.17 -175.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 tp -94.86 178.37 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -135.29 -172.54 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.52 170.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -63.76 -174.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.93 -62.48 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.431 1.082 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 64' ' ' GLU . 2.5 mt-30 -115.19 113.72 24.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.482 HD11 ' CG2' ' A' ' 17' ' ' VAL . 10.7 pt -105.72 159.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -122.84 -177.37 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.56 144.52 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.5 mttt -118.04 125.21 49.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.0 p -80.07 -154.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -77.54 -38.09 49.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 10' ' ' GLY . 6.2 t -77.28 -55.41 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.377 1.048 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' HG21 ' A' ' 9' ' ' THR . . . 138.17 43.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 110.99 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -81.19 105.78 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.05 120.6 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -79.19 142.2 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 3' ' ' ILE . 1.5 mm? -123.92 164.14 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.01 61.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.223 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.482 ' CG2' HD11 ' A' ' 3' ' ' ILE . 17.6 m -99.46 -175.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.381 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -122.95 172.64 5.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -75.03 -18.2 18.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -94.14 -13.34 26.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.56 -175.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.8 m -127.5 171.4 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.0 mm -68.66 -47.95 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -58.18 -19.32 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -33.14 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG21 ' CG1' ' A' ' 17' ' ' VAL . 91.1 t -73.05 -57.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -50.19 -45.21 53.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.13 -33.83 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 16.4 mtpt -78.09 -33.51 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LYS . 14.0 mm -68.71 -23.46 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.511 HE21 ' NE2' ' A' ' 41' ' ' GLN . 2.3 mp0 -63.02 -48.09 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.4 t0 -89.21 -50.84 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -37.26 -41.33 0.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.99 -48.26 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 110.251 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 108.32 26.36 5.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.503 HG23 ' N ' ' A' ' 37' ' ' PRO . 1.5 mp -112.5 147.07 36.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.503 ' N ' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 153.0 41.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.59 7.57 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -24.94 63.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -117.46 -25.4 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' HE21 ' A' ' 31' ' ' GLN . 5.1 mm-40 -55.56 146.42 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' NE ' ' NE ' ' A' ' 72' ' ' ARG . 5.9 ttm180 -160.21 96.32 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.46 ' CD2' HG13 ' A' ' 26' ' ' VAL . 3.4 tp -79.28 127.74 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -136.06 119.85 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 48' ' ' LYS . 13.0 t80 -97.67 139.05 34.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.8 40.36 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.27 37.01 71.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -126.04 142.15 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.81 131.47 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.62 -175.33 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' N ' ' HH ' ' A' ' 59' ' ' TYR . 4.8 mt-10 -160.23 146.34 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 2.9 p30 -74.77 -4.97 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.26 -25.18 12.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.572 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -79.68 -170.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -153.06 158.19 41.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 1.1 mt -57.57 -53.44 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -60.87 -17.78 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -91.9 -26.16 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -97.03 13.29 29.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 20.3 t30 63.13 13.54 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 56' ' ' LEU . 44.2 mt -63.9 128.05 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.6 mm-40 -126.5 152.87 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -39.88 140.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLN . 5.1 mt-10 76.4 36.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -102.41 121.99 43.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -93.34 122.28 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -90.12 -175.44 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -130.55 109.43 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.644 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . 5.1 tp -91.44 117.05 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 m -130.64 173.51 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -174.24 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -142.91 175.31 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 36.69 -151.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -119.28 162.7 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.244 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.71 -62.78 0.85 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.447 0.165 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -146.01 108.8 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -109.04 177.97 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -133.09 179.11 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.082 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.43 HG23 ' CD2' ' A' ' 15' ' ' LEU . 70.4 t -146.34 135.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -103.48 120.29 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.412 HG22 ' CD2' ' A' ' 69' ' ' LEU . 30.5 p -95.28 158.3 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -54.93 -28.32 50.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.63 1.206 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.64 -1.09 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.72 39.14 49.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.31 145.52 29.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mp -112.67 123.73 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -81.07 146.53 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD2' HG23 ' A' ' 5' ' ' VAL . 2.8 mm? -132.33 149.21 52.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.75 62.04 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 26' ' ' VAL . 19.3 m -101.09 143.1 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -78.18 160.52 73.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.81 14.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -104.94 -14.8 15.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -166.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.44 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 91.4 m -127.45 171.78 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 56' ' ' LEU . 18.5 mm -69.77 -40.95 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.219 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -61.85 -24.77 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.215 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 22' ' ' THR . 1.6 m120 -81.57 -27.43 34.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 43' ' ' LEU . 73.8 t -77.95 -49.12 22.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' ILE . 20.8 mtpt -56.74 -47.61 79.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.92 -34.25 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.6 mttm -72.8 -35.04 67.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' LYS . 16.3 mm -66.9 -25.46 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 83.5 mm-40 -62.18 -63.25 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.8 t0 -68.71 -49.45 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmpt? -35.68 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.91 -50.04 11.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 112.07 40.94 1.12 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 37' ' ' PRO . 5.8 mt -123.01 145.62 46.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.622 0.836 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -75.06 161.39 38.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.0 Cg_endo -75.03 1.6 7.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -13.0 59.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -139.21 25.95 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 4.6 mt-30 -122.63 143.66 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -160.06 103.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 26' ' ' VAL . 9.5 mt -79.74 135.17 36.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.354 1.033 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -139.8 139.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 10.7 t80 -119.54 140.13 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.3 48.7 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.46 44.24 11.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.74 132.03 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.35 120.6 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.434 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -90.67 158.61 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 28.3 mt-10 -129.46 148.45 51.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 1.8 p30 -75.85 -3.46 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.32 -19.56 16.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -80.92 -165.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.65 165.19 32.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -70.24 -50.7 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.616 1.197 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -61.52 -16.62 49.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.455 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 1.2 m-20 -90.52 -38.2 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.5 m-85 -79.8 1.51 26.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.8 m-80 79.35 5.86 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.463 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 51.4 mt -59.01 136.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 22.7 pt20 -133.17 -157.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -81.66 142.38 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.33 14.97 7.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 4.0 m -80.44 105.3 11.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 77.9 m -79.08 139.58 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -103.84 -172.98 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.9 m-70 -132.02 109.71 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' CD2' HG22 ' A' ' 7' ' ' THR . 18.2 tp -93.83 104.78 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m -110.7 -173.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.15 -176.4 4.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.31 163.58 32.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -55.64 170.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.457 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 64.74 176.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.37 67.81 0.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -147.13 101.9 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 15' ' ' LEU . 9.4 pt -90.98 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -135.91 172.77 12.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.2 t -137.46 138.57 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -111.09 111.61 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 p -85.16 176.48 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.3 mm? -57.78 -35.79 71.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -80.45 -12.58 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.54 -9.74 66.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.46 130.97 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.268 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -99.7 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CG2' ' HE3' ' A' ' 33' ' ' LYS . 5.4 mp -109.89 118.83 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 m -80.03 140.84 36.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.396 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 3' ' ' ILE . 2.9 mm? -134.26 135.53 42.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -107.51 74.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 3' ' ' ILE . 3.3 m -109.66 145.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -77.8 158.7 77.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -7.59 19.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -100.39 -6.95 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.09 -169.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.5 m -125.14 169.97 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 HD13 ' CD2' ' A' ' 56' ' ' LEU . 5.6 mm -65.76 -49.67 75.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -55.42 -23.27 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -28.21 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 43' ' ' LEU . 68.9 t -78.52 -46.54 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -61.47 -46.52 89.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.13 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 5.4 mtpm? -76.24 -31.24 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' LYS . 15.4 mm -71.89 -18.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.6 mm-40 -70.15 -66.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -40.48 97.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 11.5 mmmt -42.87 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -57.46 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.95 50.28 0.22 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 37' ' ' PRO . 3.6 mt -130.49 145.77 58.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' N ' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 158.78 41.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.99 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.23 -21.71 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.487 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 1.2 mt-30 -119.53 -28.99 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 5.7 mt-30 -69.06 146.07 52.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -160.47 102.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 27' ' ' LYS . 10.7 mt -79.67 133.7 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.1 mt -135.35 139.77 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.586 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 16.2 t80 -125.99 137.14 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.97 49.96 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.95 43.72 5.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 141.31 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 137.85 58.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -112.29 135.29 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.02 164.34 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -83.29 -0.65 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.8 -18.92 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 13.8 mmt180 -91.82 -170.88 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.404 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -147.68 162.55 38.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 2.4 mt -62.0 -51.62 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 t -62.46 -19.88 63.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.058 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 0.7 OUTLIER -90.55 -25.44 20.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 50' ' ' LEU . 3.7 m-85 -91.67 0.27 57.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.2 m-20 80.34 4.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.586 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 56.7 mt -61.36 135.63 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.28 -160.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 74.42 3.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.224 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -70.5 108.36 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.6 m -79.37 138.96 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -102.86 -174.9 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.9 m-70 -130.59 117.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 tp -99.7 118.75 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 12.4 m -123.42 166.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -105.16 168.48 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -119.27 -175.61 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.561 ' O ' ' C ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -56.98 176.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.538 1.149 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.561 ' C ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER 25.2 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.79 54.54 2.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.442 0.163 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -113.42 140.93 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.32 179.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.406 ' CE1' HG23 ' A' ' 14' ' ' THR . 39.7 m-85 -140.88 -173.18 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -161.18 147.22 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.92 121.82 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.5 p -97.89 163.3 12.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.21 -28.77 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -83.13 7.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.19 52.01 55.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 126.94 55.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 m -92.64 106.21 18.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.08 125.22 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.406 HG23 ' CE1' ' A' ' 4' ' ' PHE . 4.1 m -79.04 148.07 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' CD1' HD13 ' A' ' 30' ' ' ILE . 5.0 mt -142.6 135.94 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.42 80.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 56' ' ' LEU . 13.3 m -104.04 -176.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -121.05 167.59 12.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -18.34 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -93.15 -14.98 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -173.52 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.9 m -131.58 172.68 11.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.443 HD13 ' CD2' ' A' ' 50' ' ' LEU . 40.8 mm -71.31 -50.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 9.2 pt-20 -52.77 -24.7 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -80.02 -41.8 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.425 ' CG1' HD23 ' A' ' 43' ' ' LEU . 71.6 t -63.84 -49.52 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 30' ' ' ILE . 13.2 mtpt -55.51 -48.01 75.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.41 -27.15 5.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.91 -29.93 44.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 27' ' ' LYS . 11.7 mm -73.86 -25.03 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 80.7 mm-40 -61.55 -44.91 96.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.2 t0 -90.05 -53.29 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 1.4 mmpt? -36.37 -52.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' OE2' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.59 -46.59 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 105.28 21.49 8.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.498 HG21 ' N ' ' A' ' 37' ' ' PRO . 4.0 mt -103.7 146.67 32.95 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 0.741 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 18.1 Cg_endo -75.03 162.01 37.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.18 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -129.62 46.68 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 3.3 mm-40 -130.53 139.95 50.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -159.79 111.71 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD23 ' CG1' ' A' ' 26' ' ' VAL . 4.6 tp -81.59 135.02 35.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mt -141.52 123.54 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 17.6 t80 -110.82 136.39 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.86 59.86 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 37.67 43.69 1.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 147.51 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.68 144.6 47.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -105.52 -177.29 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -154.19 147.73 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 3.3 p-10 -75.18 -14.04 60.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.56 -19.52 37.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.6 mmt180 -79.67 -170.65 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.34 161.16 43.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 1.2 mt -62.96 -52.44 63.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 t -61.6 -17.01 53.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.75 -26.26 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.524 ' CZ ' HD13 ' A' ' 50' ' ' LEU . 2.3 m-85 -95.02 1.75 55.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 7.4 m-80 76.03 7.05 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 49.9 mt -57.89 136.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.33 -152.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -83.43 152.36 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 57.2 38.11 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 m -99.75 103.0 14.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.7 m -78.77 127.76 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -91.27 -173.89 3.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ILE . 15.0 m-70 -132.99 109.68 9.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 tp -93.16 117.43 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.14 178.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 40' ' ' GLN . 2.2 tp -92.42 -169.92 2.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 164.33 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.81 -174.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.68 119.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.09 50.36 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -140.23 106.69 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.514 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 8.3 pt -102.41 170.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.528 ' CE1' HG22 ' A' ' 14' ' ' THR . 49.7 m-85 -134.04 -172.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 6' ' ' LYS . 3.0 p -160.85 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 5' ' ' VAL . 18.3 mttt -121.47 118.37 29.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.38 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.466 ' OG1' ' CG2' ' A' ' 9' ' ' THR . 1.4 p -88.13 -167.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.2 mt -80.18 -27.33 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' OG1' ' A' ' 7' ' ' THR . 1.1 t -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.79 3.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 122.89 44.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 109.229 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -87.86 105.75 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.63 123.26 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.528 HG22 ' CE1' ' A' ' 4' ' ' PHE . 2.0 m -78.88 148.18 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' A' ' 30' ' ' ILE . 5.0 mt -141.96 145.45 34.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.12 77.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.514 ' CG2' ' CD1' ' A' ' 3' ' ' ILE . 15.0 m -119.15 135.11 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -72.94 173.7 5.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.0 Cg_endo -74.93 -17.02 20.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -89.25 -20.32 24.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.964 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.35 176.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 63.5 m -122.04 167.45 13.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.3 mm -66.92 -52.09 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.96 -22.57 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -40.1 25.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG1' HD22 ' A' ' 43' ' ' LEU . 96.0 t -64.64 -56.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -50.48 -46.87 57.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.69 -33.08 6.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.2 mttp -78.74 -33.73 46.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.495 HD12 ' CD1' ' A' ' 15' ' ' LEU . 15.4 mm -68.27 -23.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.46 HE21 ' NE2' ' A' ' 41' ' ' GLN . 3.9 mp0 -66.62 -49.56 65.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LYS . 5.2 t0 -84.17 -49.19 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 2.7 mmpt? -37.75 -63.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.18 31.28 1.74 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 37' ' ' PRO . 1.1 mp -117.05 148.53 42.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.04 151.49 39.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.43 7.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -24.44 63.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 1.5 mt-30 -119.04 -25.67 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.46 ' NE2' HE21 ' A' ' 31' ' ' GLN . 5.4 mm-40 -54.65 149.37 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.41 100.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 ' CG1' ' A' ' 26' ' ' VAL . 6.5 tp -79.48 131.48 36.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.85 119.94 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 14.3 t80 -100.33 139.49 35.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.2 46.64 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.94 38.21 30.6 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' PHE . 3.1 ttmm -129.19 140.27 51.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 0.829 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 142.28 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.57 -176.83 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 4.8 mt-10 -158.08 146.86 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' O ' ' CG2' ' A' ' 22' ' ' THR . 13.5 p-10 -75.06 -23.8 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.69 -13.99 74.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.558 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -86.23 -166.61 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.14 165.54 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -69.16 -53.09 21.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t -57.16 -21.74 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 12.9 m-20 -89.29 -33.38 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 1.9 m-85 -83.65 9.15 12.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 18.5 t30 65.42 14.18 9.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 29.9 mt -62.51 131.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' LYS . 3.0 mt-30 -125.18 149.85 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -39.1 146.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 72.13 22.68 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.6 126.36 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.1 m -99.63 123.26 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -87.92 -177.83 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -132.32 111.52 11.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 tp -92.79 118.04 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.4 m -125.95 173.05 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -106.76 156.49 18.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -96.85 140.23 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.436 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -59.13 178.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' LEU . 14.7 ptt180 -38.04 137.71 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.66 50.26 4.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -126.83 94.79 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 17' ' ' VAL . 1.2 pt -82.71 -175.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.373 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 46.4 m-85 -144.95 -171.37 3.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 15' ' ' LEU . 52.4 t -150.43 138.5 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.31 114.53 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.389 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.2 p -93.31 170.45 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.411 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 3.5 mm? -53.84 -36.75 62.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 t -79.85 0.1 32.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 83.46 -10.87 57.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -39.66 137.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -110.96 100.29 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 3.0 mp -94.08 116.77 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 m -79.44 149.49 31.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 HD12 ' CG2' ' A' ' 5' ' ' VAL . 5.4 mt -143.0 161.81 37.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -131.52 63.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 3' ' ' ILE . 4.2 m -87.59 -172.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -130.39 171.17 9.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.09 9.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.4 m -84.26 -13.6 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -172.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 77.6 m -133.07 168.24 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 HD11 ' CD2' ' A' ' 56' ' ' LEU . 15.4 mm -67.39 -50.89 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -54.45 -21.96 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.84 -37.12 27.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 ' CG1' ' A' ' 17' ' ' VAL . 70.5 t -69.74 -50.1 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 30' ' ' ILE . 2.3 mtpm? -57.22 -45.97 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.39 -28.91 8.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 57.3 mttp -78.16 -29.15 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' LYS . 9.9 mm -76.2 -29.54 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 86.9 mm-40 -56.89 -46.09 82.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.82 -53.3 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 17.5 mmmt -40.81 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.35 -57.72 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 112.04 33.07 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 HG21 ' N ' ' A' ' 37' ' ' PRO . 2.3 mp -122.58 147.08 49.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.513 ' N ' HG21 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 162.36 37.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.99 1.38 7.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.441 1.759 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.74 -21.07 57.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -121.05 -24.55 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 5.9 mt-30 -73.33 146.13 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 72' ' ' ARG . 15.8 ttp85 -160.3 105.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tp -79.65 133.38 36.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -142.18 127.24 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 65' ' ' SER . 11.1 t80 -112.0 136.73 50.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.38 52.87 5.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.17 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -123.21 135.99 54.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 0.811 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 139.6 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -107.68 146.13 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 1.2 mt-10 -121.77 151.5 40.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 22' ' ' THR . 5.8 p-10 -76.48 -18.19 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 -16.87 59.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -83.14 -168.5 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.23 160.71 42.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.355 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -64.78 -53.52 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -54.27 -24.28 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -88.51 -33.34 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.2 m-85 -82.7 8.31 12.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 19.6 t30 63.28 15.45 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 31.2 mt -64.01 133.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.0 mm100 -119.14 -173.28 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 149.15 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 65.82 10.84 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 43.0 m -75.92 107.1 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.3 m -79.24 137.86 37.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.38 -171.4 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.8 m-70 -131.93 110.71 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -96.27 104.94 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 22.5 m -113.22 176.46 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.54 -174.32 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -141.21 174.87 10.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 39.59 -158.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.67 56.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 -76.32 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ptm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.455 0.169 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -120.3 106.84 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 65' ' ' SER . 2.3 pp -98.7 168.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.528 ' CE1' HG21 ' A' ' 14' ' ' THR . 37.4 m-85 -131.18 -169.3 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -160.73 144.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -112.78 113.01 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.436 ' OG1' HG22 ' A' ' 9' ' ' THR . 10.1 p -80.8 178.79 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.59 -33.64 70.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.436 HG22 ' OG1' ' A' ' 7' ' ' THR . 1.0 OUTLIER -80.21 -15.5 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 99.41 -27.36 20.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -35.23 128.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.44 123.19 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mp -112.3 126.13 69.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.528 HG21 ' CE1' ' A' ' 4' ' ' PHE . 2.1 m -81.54 145.66 30.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 30' ' ' ILE . 1.9 mm? -127.09 169.5 13.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.82 55.83 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG1' HG21 ' A' ' 26' ' ' VAL . 12.5 m -91.69 -171.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -128.85 165.09 34.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -17.6 19.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 m -95.6 -8.58 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -174.34 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 87.1 m -117.49 171.59 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' CD2' ' A' ' 56' ' ' LEU . 3.0 mm -70.01 -50.4 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.91 -19.39 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -80.47 -24.56 39.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 43' ' ' LEU . 94.4 t -82.09 -50.81 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -58.37 -42.69 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.59 22.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.4 mttm -76.84 -32.83 57.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 15' ' ' LEU . 6.7 mm -74.2 -26.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 4.3 mp0 -59.1 -49.13 79.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -84.35 -53.78 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 10.3 mmmt -36.39 -62.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.478 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -80.39 -54.94 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.96 2.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG21 ' N ' ' A' ' 37' ' ' PRO . 4.0 mt -117.3 146.17 37.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' N ' HG21 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.03 156.51 42.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 1.81 7.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.419 1.747 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.2 -19.07 58.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -121.49 -28.13 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 6.2 mt-30 -64.58 149.19 49.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -160.32 103.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 26' ' ' VAL . 5.7 tp -79.05 124.84 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mm -128.63 119.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.642 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 7.6 t80 -108.88 138.99 44.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 39.61 47.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.23 63.87 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -157.43 128.88 6.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.18 138.38 16.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.75 172.12 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -167.82 155.94 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 22' ' ' THR . 1.0 OUTLIER -72.05 -41.16 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.59 -27.21 1.98 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -96.9 -171.34 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.97 158.68 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 3.0 mt -54.61 -57.17 12.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -58.77 -16.22 15.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' OD1' ' NH1' ' A' ' 54' ' ' ARG . 1.1 t70 -90.51 -38.0 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.47 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 3.0 m-85 -81.72 5.74 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 80.02 -0.19 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 63.8 mt -57.33 140.82 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.35 -167.21 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 136.04 46.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 70.84 43.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.1 m -108.67 104.47 13.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -78.88 124.09 27.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -88.22 -179.17 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ILE . 12.2 m170 -123.67 101.66 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' LYS . 12.5 tp -87.85 111.44 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.6 m -124.78 -179.19 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 tp -95.53 -169.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.381 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -143.66 157.05 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.88 -179.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -37.89 138.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.97 57.85 0.41 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.586 1.179 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HE1' ' CD ' ' A' ' 19' ' ' PRO . 8.8 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.458 0.17 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -118.78 94.97 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' LEU . 8.5 pt -94.31 161.14 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 24.7 m-85 -123.29 178.73 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -157.46 144.11 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -107.58 119.26 38.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 p -92.13 -176.64 4.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 2.0 mm? -53.33 -41.22 65.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.21 -18.68 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 96.48 -18.81 56.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -36.77 119.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -80.04 112.84 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.04 122.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -79.84 143.07 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ILE . 2.0 mm? -129.18 130.77 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.369 1.043 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.81 69.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' CG2' HD13 ' A' ' 3' ' ' ILE . 4.6 m -104.29 -172.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 8.5 pt-20 -122.58 160.08 50.12 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' CD ' ' HE1' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.0 0.29 9.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -112.59 -3.7 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.608 1.193 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.79 -170.73 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 52' ' ' ASP . 87.2 m -123.55 169.54 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 56' ' ' LEU . 15.9 mm -68.89 -48.4 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -55.04 -23.2 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.76 -32.66 41.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG22 ' CG1' ' A' ' 17' ' ' VAL . 74.0 t -73.01 -54.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -52.86 -45.02 67.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.09 -32.7 16.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -77.02 -30.34 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' LYS . 19.3 mm -71.43 -25.46 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.784 HE21 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -60.45 -49.98 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -83.7 -53.86 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -36.13 -50.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -39.04 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.226 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 97.55 22.09 17.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -105.72 150.13 38.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' N ' HG22 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.99 149.39 36.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.98 8.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -30.05 69.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.39 40.12 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.784 ' NE2' HE21 ' A' ' 31' ' ' GLN . 3.6 mt-30 -114.59 144.79 42.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -159.61 107.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.72 128.89 33.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -130.4 119.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.617 ' CD1' ' HG ' ' A' ' 67' ' ' LEU . 4.3 t80 -107.09 140.14 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 38.78 52.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.99 50.7 11.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.77 150.96 44.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.48 134.04 37.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.55 163.0 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 6.3 mt-10 -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 7.8 p-10 -77.7 -10.03 59.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.34 -21.25 32.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.581 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -81.52 -168.87 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 0.772 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -145.83 163.22 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -64.75 -55.82 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 11.9 t -58.49 -17.57 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' OD2' ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -90.54 -36.06 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -85.2 12.16 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.1 t30 70.63 6.78 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 56' ' ' LEU . 88.5 mt -65.71 134.72 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -143.83 -158.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 135.18 40.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.0 mt-10 73.32 38.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 m -99.48 105.73 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -85.12 116.0 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.617 ' HG ' ' CD1' ' A' ' 45' ' ' PHE . 3.8 mp -98.92 -165.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' ILE . 10.5 m-70 -133.07 134.97 45.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD23 ' CG2' ' A' ' 30' ' ' ILE . 5.4 tp -114.93 104.16 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.478 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 6.4 m -105.89 154.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.36 153.5 46.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -103.7 -176.07 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.483 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -92.13 -176.65 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.2 109.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.07 -58.19 2.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.449 0.166 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' GLU . 40.0 mt-30 -136.33 160.22 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.485 HD12 ' CG2' ' A' ' 17' ' ' VAL . 5.5 pt -150.6 173.03 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' CE1' HG22 ' A' ' 14' ' ' THR . 54.9 m-85 -137.0 -172.6 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 6' ' ' LYS . 1.4 p -160.17 154.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' N ' HG21 ' A' ' 5' ' ' VAL . 14.6 mttt -121.72 112.59 18.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.4 p -85.54 -169.21 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.1 mm? -63.87 -38.76 92.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.45 -10.32 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 89.95 -17.72 51.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -36.33 120.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.238 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -90.27 106.58 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.52 125.44 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.515 HG22 ' CE1' ' A' ' 4' ' ' PHE . 11.1 m -80.71 152.78 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' CD1' HD13 ' A' ' 30' ' ' ILE . 7.1 mt -142.52 152.21 42.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.89 73.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.485 ' CG2' HD12 ' A' ' 3' ' ' ILE . 14.2 m -109.84 164.62 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -99.33 165.85 14.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' O ' ' CB ' ' A' ' 57' ' ' SER . 18.1 Cg_endo -74.98 -13.21 21.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -97.22 -15.18 20.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.75 -172.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.9 m -126.68 167.27 15.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mm -66.46 -47.66 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.85 -21.85 22.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -34.24 31.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' HD23 ' A' ' 43' ' ' LEU . 98.0 t -70.94 -56.93 9.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' ILE . 3.5 mtpt -51.27 -44.77 61.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.206 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.1 -31.7 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 13.9 mttt -79.27 -29.44 42.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.487 HD13 ' CD1' ' A' ' 15' ' ' LEU . 13.9 mm -73.41 -20.3 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.575 HE21 ' NE2' ' A' ' 41' ' ' GLN . 1.4 mp0 -66.77 -47.2 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -87.43 -50.13 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -36.72 -57.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -89.2 -55.37 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.3 32.38 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' N ' ' A' ' 37' ' ' PRO . 1.1 mp -119.12 148.52 45.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.495 ' N ' HG22 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.04 154.02 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.64 7.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -25.38 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -118.19 -25.86 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.575 ' NE2' HE21 ' A' ' 31' ' ' GLN . 5.6 mm-40 -53.14 148.12 8.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.6 101.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD23 ' CG1' ' A' ' 26' ' ' VAL . 5.6 tp -79.4 127.07 31.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.81 124.45 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.53 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 16.7 t80 -114.53 137.15 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 40.48 48.59 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.03 49.11 18.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -140.44 138.59 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.61 139.29 58.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.528 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -111.01 157.81 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -147.04 161.72 40.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 53' ' ' GLY . 39.7 p30 -78.94 -14.4 59.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -80.6 -10.84 84.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.605 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.44 -168.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.407 ' OG1' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -150.91 164.2 36.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 2.1 mt -64.52 -51.82 60.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 30.2 t -61.61 -19.5 62.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 3.1 m-20 -90.27 -33.54 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -86.19 12.32 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 23.6 t30 68.02 10.86 8.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.53 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -68.49 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -131.55 -152.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 145.26 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 2' ' ' GLN . 8.6 mt-10 65.3 18.31 11.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 14.3 m -76.11 103.96 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.1 m -79.38 126.03 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -93.83 -171.65 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -137.52 111.08 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tp -94.3 118.28 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 9.7 m -131.06 163.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -84.38 -174.67 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' LEU . 1.8 mtp85 -141.43 168.28 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -47.6 174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' LEU . 3.3 ptt180 36.56 83.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.95 48.41 3.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.539 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -121.2 97.55 5.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 15' ' ' LEU . 2.3 pp -90.18 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CE1' HG23 ' A' ' 14' ' ' THR . 54.6 m-85 -128.12 175.61 8.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.747 HG23 HD23 ' A' ' 15' ' ' LEU . 67.5 t -143.79 137.34 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -111.33 108.99 18.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.553 HG22 HD23 ' A' ' 69' ' ' LEU . 11.8 p -80.29 -171.3 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.84 -33.79 76.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -79.68 -5.98 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.27 -21.31 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -37.18 136.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 115.39 30.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.495 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -107.03 125.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.615 HG23 ' CE1' ' A' ' 4' ' ' PHE . 3.0 m -80.11 144.98 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.747 HD23 HG23 ' A' ' 5' ' ' VAL . 2.6 mm? -130.94 159.63 36.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 61.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.887 HG11 HG22 ' A' ' 26' ' ' VAL . 3.3 m -92.0 -172.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.698 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 pt-20 -127.72 160.68 59.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.03 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -109.4 -6.36 15.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.717 ' O ' HG22 ' A' ' 55' ' ' THR . 2.3 m-20 -77.28 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 54' ' ' ARG . 89.3 m -124.53 168.32 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.451 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 23' ' ' ILE . 12.5 mm -65.5 -50.27 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.1 -24.03 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.68 -31.13 41.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.887 HG22 HG11 ' A' ' 17' ' ' VAL . 75.2 t -72.8 -52.49 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HG3' HD12 ' A' ' 43' ' ' LEU . 32.9 mtpt -54.46 -44.21 72.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . . . -50.58 -31.97 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 20.1 mttt -77.31 -31.77 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.864 HG21 HD22 ' A' ' 69' ' ' LEU . 12.1 mm -72.0 -21.39 20.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.506 ' O ' ' CA ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -66.32 -51.16 60.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.1 t0 -82.06 -49.96 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -37.79 -48.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.725 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -100.23 -27.19 13.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 88.54 17.97 55.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.881 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.6 mt -96.66 148.81 34.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.881 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.04 149.88 37.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -67.54 -30.97 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -127.87 47.6 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 3.6 mt-30 -125.78 144.98 50.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -160.23 101.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.874 ' CD1' HG12 ' A' ' 26' ' ' VAL . 9.5 mt -81.7 127.26 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.3 mt -126.48 143.72 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 10.7 t80 -121.38 143.55 49.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.05 43.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.49 44.04 45.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.06 144.55 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.31 135.4 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -107.44 154.58 21.13 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 17.1 mt-10 -123.78 150.42 44.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' HG21 ' A' ' 22' ' ' THR . 75.3 m-20 -78.27 -3.19 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.69 -21.4 14.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.4 mmt180 -79.5 -170.49 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -147.91 159.89 43.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 110.44 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -61.37 -52.71 63.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 31.1 p -59.68 -20.83 58.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -19.89 23.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.5 m-85 -97.63 -1.96 42.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 6.1 m120 78.71 7.42 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.614 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 51.4 mt -63.71 137.34 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -130.24 -158.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 149.11 27.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 3.7 mt-10 69.13 10.9 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 m -76.8 128.68 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 4' ' ' PHE . 26.5 m -99.57 132.04 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -100.32 -170.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ILE . 13.2 m80 -133.01 119.86 20.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.542 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.864 HD22 HG21 ' A' ' 30' ' ' ILE . 20.3 tp -107.41 108.66 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.466 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 64' ' ' GLU . 2.5 mt-30 -115.19 113.72 24.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.466 ' CG1' ' HB2' ' A' ' 15' ' ' LEU . 10.7 pt -105.72 159.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.641 ' CE1' HG23 ' A' ' 14' ' ' THR . 27.7 m-85 -122.84 -177.37 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.56 144.52 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.5 mttt -118.04 125.21 49.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 69' ' ' LEU . 70.0 p -80.07 -154.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -77.54 -38.09 49.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 10' ' ' GLY . 6.2 t -77.28 -55.41 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.377 1.048 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' N ' HG23 ' A' ' 9' ' ' THR . . . 138.17 43.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 110.99 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -81.19 105.78 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.05 120.6 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.641 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.2 m -79.19 142.2 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 14' ' ' THR . 1.5 mm? -123.92 164.14 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.01 61.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.223 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.881 HG11 HG22 ' A' ' 26' ' ' VAL . 17.6 m -99.46 -175.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.381 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -122.95 172.64 5.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -75.03 -18.2 18.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -94.14 -13.34 26.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.715 ' O ' HG22 ' A' ' 55' ' ' THR . 1.1 m-20 -64.56 -175.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.218 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 54' ' ' ARG . 93.8 m -127.5 171.4 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 50' ' ' LEU . 26.0 mm -68.66 -47.95 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -58.18 -19.32 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -33.14 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.881 HG22 HG11 ' A' ' 17' ' ' VAL . 91.1 t -73.05 -57.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -50.19 -45.21 53.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HA ' HE21 ' A' ' 31' ' ' GLN . . . -49.13 -33.83 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 16.4 mtpt -78.09 -33.51 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.599 HG21 HD22 ' A' ' 69' ' ' LEU . 14.0 mm -68.71 -23.46 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.536 HE21 ' HA ' ' A' ' 28' ' ' ALA . 1.5 mp0 -63.02 -48.09 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.4 t0 -89.21 -50.84 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -37.26 -41.33 0.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -105.99 -48.26 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 108.32 26.36 5.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.893 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.5 mp -112.5 147.07 36.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.893 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 153.0 41.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 1.59 7.57 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -24.94 63.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.46 -25.4 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.1 mm-40 -55.56 146.42 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.562 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.9 ttm180 -160.21 96.32 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 27' ' ' LYS . 3.4 tp -79.28 127.74 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -136.06 119.85 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 13.0 t80 -97.67 139.05 34.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.8 40.36 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.27 37.01 71.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -126.04 142.15 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.81 131.47 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.566 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -95.62 -175.33 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -160.23 146.34 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 2.9 p30 -74.77 -4.97 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.26 -25.18 12.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -79.68 -170.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -153.06 158.19 41.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.1 mt -57.57 -53.44 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -60.87 -17.78 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.9 -26.16 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -97.03 13.29 29.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 27.9 t-20 63.13 13.54 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 44.2 mt -63.9 128.05 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 2.6 mm-40 -126.5 152.87 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -39.88 140.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLN . 5.1 mt-10 76.4 36.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -102.41 121.99 43.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.521 HG23 ' HB2' ' A' ' 4' ' ' PHE . 25.8 m -93.34 122.28 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -90.12 -175.44 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -130.55 109.43 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.644 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD22 HG21 ' A' ' 30' ' ' ILE . 5.1 tp -91.44 117.05 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 42' ' ' ARG . 16.3 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.447 0.165 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -146.01 108.8 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.426 HG12 HG22 ' A' ' 17' ' ' VAL . 1.1 pt -109.04 177.97 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.524 ' HB2' HG23 ' A' ' 66' ' ' THR . 63.4 m-85 -133.09 179.11 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.082 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.733 HG23 HD23 ' A' ' 15' ' ' LEU . 70.4 t -146.34 135.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -103.48 120.29 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.046 HG22 HD23 ' A' ' 69' ' ' LEU . 30.5 p -95.28 158.3 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -54.93 -28.32 50.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.63 1.206 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -79.64 -1.09 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.72 39.14 49.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.31 145.52 29.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 13' ' ' ILE . 3.8 mp -112.67 123.73 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.536 ' C ' HD22 ' A' ' 15' ' ' LEU . 24.6 m -81.07 146.53 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.733 HD23 HG23 ' A' ' 5' ' ' VAL . 2.8 mm? -132.33 149.21 52.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.75 62.04 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.828 HG11 HG22 ' A' ' 26' ' ' VAL . 19.3 m -101.09 143.1 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.643 ' O ' HD12 ' A' ' 56' ' ' LEU . 18.6 mm-40 -78.18 160.52 73.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.81 14.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -104.94 -14.8 15.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -65.28 -166.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 54' ' ' ARG . 91.4 m -127.45 171.78 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' A' ' 50' ' ' LEU . 18.5 mm -69.77 -40.95 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.219 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -61.85 -24.77 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.215 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 22' ' ' THR . 1.6 m120 -81.57 -27.43 34.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.828 HG22 HG11 ' A' ' 17' ' ' VAL . 73.8 t -77.95 -49.12 22.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.817 ' HG3' HD12 ' A' ' 43' ' ' LEU . 20.8 mtpt -56.74 -47.61 79.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.92 -34.25 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.6 mttm -72.8 -35.04 67.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' LYS . 16.3 mm -66.9 -25.46 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 83.5 mm-40 -62.18 -63.25 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.8 t0 -68.71 -49.45 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmpt? -35.68 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.404 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.91 -50.04 11.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 112.07 40.94 1.12 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.865 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.8 mt -123.01 145.62 46.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.622 0.836 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.865 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.06 161.39 38.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.0 Cg_endo -75.03 1.6 7.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -13.0 59.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -139.21 25.95 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 4.6 mt-30 -122.63 143.66 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -160.06 103.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' A' ' 27' ' ' LYS . 9.5 mt -79.74 135.17 36.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.354 1.033 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -139.8 139.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.655 ' HB2' HD21 ' A' ' 50' ' ' LEU . 10.7 t80 -119.54 140.13 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.3 48.7 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.46 44.24 11.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -130.74 132.03 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.35 120.6 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -90.67 158.61 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 28.3 mt-10 -129.46 148.45 51.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 1.8 p30 -75.85 -3.46 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.32 -19.56 16.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -80.92 -165.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.65 165.19 32.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -70.24 -50.7 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.616 1.197 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -61.52 -16.62 49.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.455 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 1.2 m-20 -90.52 -38.2 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.506 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.5 m-85 -79.8 1.51 26.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 6.3 m120 79.35 5.86 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 56' ' ' LEU . 51.4 mt -59.01 136.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 22.7 pt20 -133.17 -157.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -81.66 142.38 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.33 14.97 7.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 4.0 m -80.44 105.3 11.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.539 ' C ' HD22 ' A' ' 67' ' ' LEU . 77.9 m -79.08 139.58 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -103.84 -172.98 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ILE . 10.2 m80 -132.02 109.71 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.046 HD23 HG22 ' A' ' 7' ' ' THR . 18.2 tp -93.83 104.78 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -147.13 101.9 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.643 HD11 ' CG2' ' A' ' 17' ' ' VAL . 9.4 pt -90.98 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.684 ' CE1' HG23 ' A' ' 14' ' ' THR . 62.4 m-85 -135.91 172.77 12.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.696 HG23 HD23 ' A' ' 15' ' ' LEU . 71.2 t -137.46 138.57 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -111.09 111.61 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.905 HG22 HD23 ' A' ' 69' ' ' LEU . 14.7 p -85.16 176.48 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.3 mm? -57.78 -35.79 71.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 11' ' ' LYS . 1.2 t -80.45 -12.58 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.54 -9.74 66.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -40.46 130.97 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.268 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -99.7 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' HE3' ' A' ' 33' ' ' LYS . 5.4 mp -109.89 118.83 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.684 HG23 ' CE1' ' A' ' 4' ' ' PHE . 9.0 m -80.03 140.84 36.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD23 HG23 ' A' ' 5' ' ' VAL . 2.9 mm? -134.26 135.53 42.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -107.51 74.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.643 ' CG2' HD11 ' A' ' 3' ' ' ILE . 3.3 m -109.66 145.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.5 pt-20 -77.8 158.7 77.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -74.99 -7.59 19.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -100.39 -6.95 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.726 ' O ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -74.09 -169.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 26' ' ' VAL . 91.5 m -125.14 169.97 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 27' ' ' LYS . 5.6 mm -65.76 -49.67 75.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -55.42 -23.27 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -28.21 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.741 HG12 ' CD1' ' A' ' 43' ' ' LEU . 68.9 t -78.52 -46.54 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.887 ' HG3' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -61.47 -46.52 89.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.13 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 5.4 mtpm? -76.24 -31.24 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.501 HD11 ' HG ' ' A' ' 15' ' ' LEU . 15.4 mm -71.89 -18.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.6 mm-40 -70.15 -66.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -40.48 97.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 11.5 mmmt -42.87 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -85.33 -57.46 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.95 50.28 0.22 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.843 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -130.49 145.77 58.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 158.78 41.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.99 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.23 -21.71 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -119.53 -28.99 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 5.7 mt-30 -69.06 146.07 52.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -160.47 102.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.887 HD12 ' HG3' ' A' ' 27' ' ' LYS . 10.7 mt -79.67 133.7 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.1 mt -135.35 139.77 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.636 ' HB2' HD21 ' A' ' 50' ' ' LEU . 16.2 t80 -125.99 137.14 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.97 49.96 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.95 43.72 5.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 141.31 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 137.85 58.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -112.29 135.29 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.02 164.34 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -83.29 -0.65 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.8 -18.92 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 13.8 mmt180 -91.82 -170.88 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -147.68 162.55 38.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 18' ' ' GLU . 2.4 mt -62.0 -51.62 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 t -62.46 -19.88 63.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.058 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -25.44 20.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.7 m-85 -91.67 0.27 57.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 4.4 m120 80.34 4.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.586 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 56.7 mt -61.36 135.63 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.28 -160.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 8.1 mt-10 74.42 3.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.224 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -70.5 108.36 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.504 ' C ' HD22 ' A' ' 67' ' ' LEU . 95.6 m -79.37 138.96 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -102.86 -174.9 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ILE . 7.9 m80 -130.59 117.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.905 HD23 HG22 ' A' ' 7' ' ' THR . 6.6 tp -99.7 118.75 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.492 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 12.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.442 0.163 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -113.42 140.93 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.626 HG12 HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -134.32 179.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.781 ' CE1' HG23 ' A' ' 14' ' ' THR . 39.7 m-85 -140.88 -173.18 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -161.18 147.22 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.92 121.82 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.111 HG22 HD23 ' A' ' 69' ' ' LEU . 45.5 p -97.89 163.3 12.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.21 -28.77 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.7 t -83.13 7.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.19 52.01 55.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.595 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.38 126.94 55.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 m -92.64 106.21 18.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.2 mp -104.08 125.22 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.781 HG23 ' CE1' ' A' ' 4' ' ' PHE . 4.1 m -79.04 148.07 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt -142.6 135.94 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.42 80.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.029 HG11 HG22 ' A' ' 26' ' ' VAL . 13.3 m -104.04 -176.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.778 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -121.05 167.59 12.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 18' ' ' GLU . 18.1 Cg_endo -74.97 -18.34 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -93.15 -14.98 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.574 ' O ' HG22 ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.1 -173.52 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 52' ' ' ASP . 81.9 m -131.58 172.68 11.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.657 HD12 HD23 ' A' ' 50' ' ' LEU . 40.8 mm -71.31 -50.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 9.2 pt-20 -52.77 -24.7 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -80.02 -41.8 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.029 HG22 HG11 ' A' ' 17' ' ' VAL . 71.6 t -63.84 -49.52 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.611 ' HD2' HG22 ' A' ' 23' ' ' ILE . 13.2 mtpt -55.51 -48.01 75.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.41 -27.15 5.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.91 -29.93 44.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 15' ' ' LEU . 11.7 mm -73.86 -25.03 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 80.7 mm-40 -61.55 -44.91 96.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.2 t0 -90.05 -53.29 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 1.4 mmpt? -36.37 -52.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.59 -46.59 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 105.28 21.49 8.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.902 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -103.7 146.67 32.95 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 0.741 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.902 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.03 162.01 37.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.18 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.62 46.68 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 3.3 mm-40 -130.53 139.95 50.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB3' HG23 ' A' ' 70' ' ' VAL . 12.9 ttp85 -159.79 111.71 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD22 ' HG3' ' A' ' 27' ' ' LYS . 4.6 tp -81.59 135.02 35.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mt -141.52 123.54 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 61' ' ' ILE . 17.6 t80 -110.82 136.39 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.86 59.86 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 37.67 43.69 1.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 147.51 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.68 144.6 47.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -105.52 -177.29 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -154.19 147.73 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' O ' HG21 ' A' ' 22' ' ' THR . 3.3 p-10 -75.18 -14.04 60.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.56 -19.52 37.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.6 mmt180 -79.67 -170.65 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -152.34 161.16 43.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.2 mt -62.96 -52.44 63.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 t -61.6 -17.01 53.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.75 -26.26 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.3 m-85 -95.02 1.75 55.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 7.4 m-80 76.03 7.05 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 ' CE2' ' A' ' 45' ' ' PHE . 49.9 mt -57.89 136.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.33 -152.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -83.43 152.36 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 57.2 38.11 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 m -99.75 103.0 14.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 4' ' ' PHE . 42.7 m -78.77 127.76 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -91.27 -173.89 3.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ILE . 11.2 m80 -132.99 109.68 9.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.111 HD23 HG22 ' A' ' 7' ' ' THR . 4.4 tp -93.16 117.43 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 42' ' ' ARG . 17.4 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -140.23 106.69 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.567 HD13 ' CG2' ' A' ' 17' ' ' VAL . 8.3 pt -102.41 170.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.882 ' CE1' HG23 ' A' ' 14' ' ' THR . 49.7 m-85 -134.04 -172.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 p -160.85 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.47 118.37 29.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.38 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.701 ' OG1' HG22 ' A' ' 9' ' ' THR . 1.4 p -88.13 -167.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.2 mt -80.18 -27.33 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.701 HG22 ' OG1' ' A' ' 7' ' ' THR . 1.1 t -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.79 3.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 122.89 44.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 109.229 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -87.86 105.75 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.7 mp -101.63 123.26 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.882 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.0 m -78.88 148.18 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt -141.96 145.45 34.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.12 77.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.567 ' CG2' HD13 ' A' ' 3' ' ' ILE . 15.0 m -119.15 135.11 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.904 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -72.94 173.7 5.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.0 Cg_endo -74.93 -17.02 20.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -89.25 -20.32 24.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.964 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.35 176.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' ARG . 63.5 m -122.04 167.45 13.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.509 HD12 HD23 ' A' ' 50' ' ' LEU . 18.3 mm -66.92 -52.09 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.96 -22.57 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -40.1 25.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.616 HG11 HD21 ' A' ' 43' ' ' LEU . 96.0 t -64.64 -56.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -50.48 -46.87 57.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.69 -33.08 6.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.2 mttp -78.74 -33.73 46.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.513 HD11 ' CD1' ' A' ' 15' ' ' LEU . 15.4 mm -68.27 -23.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.475 HE21 ' NE2' ' A' ' 41' ' ' GLN . 3.9 mp0 -66.62 -49.56 65.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LYS . 5.2 t0 -84.17 -49.19 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 2.7 mmpt? -37.75 -63.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.18 31.28 1.74 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.908 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.1 mp -117.05 148.53 42.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.908 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.04 151.49 39.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.536 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.92 1.43 7.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -24.44 63.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -119.04 -25.67 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.4 mm-40 -54.65 149.37 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -160.41 100.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.693 ' HG ' HD12 ' A' ' 67' ' ' LEU . 6.5 tp -79.48 131.48 36.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.85 119.94 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 14.3 t80 -100.33 139.49 35.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.2 46.64 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.94 38.21 30.6 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' PHE . 3.1 ttmm -129.19 140.27 51.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 0.829 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 142.28 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.57 -176.83 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 4.8 mt-10 -158.08 146.86 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' O ' ' CG2' ' A' ' 22' ' ' THR . 13.5 p-10 -75.06 -23.8 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.69 -13.99 74.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -86.23 -166.61 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -154.14 165.54 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -69.16 -53.09 21.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t -57.16 -21.74 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 12.9 m-20 -89.29 -33.38 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m-85 -83.65 9.15 12.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 27.4 t-20 65.42 14.18 9.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 56' ' ' LEU . 29.9 mt -62.51 131.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' LYS . 3.0 mt-30 -125.18 149.85 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -39.1 146.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 72.13 22.68 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -84.6 126.36 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 4' ' ' PHE . 37.1 m -99.63 123.26 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -87.92 -177.83 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -132.32 111.52 11.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 30' ' ' ILE . 15.8 tp -92.79 118.04 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.57 HG23 ' HB3' ' A' ' 42' ' ' ARG . 16.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 49.1 mt-30 -126.83 94.79 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.542 HG12 HG22 ' A' ' 17' ' ' VAL . 1.2 pt -82.71 -175.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.373 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 14' ' ' THR . 46.4 m-85 -144.95 -171.37 3.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.446 ' CG2' HD11 ' A' ' 15' ' ' LEU . 52.4 t -150.43 138.5 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.31 114.53 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.389 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.999 HG22 HD23 ' A' ' 69' ' ' LEU . 18.2 p -93.31 170.45 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 3.5 mm? -53.84 -36.75 62.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.744 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.2 t -79.85 0.1 32.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 83.46 -10.87 57.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -39.66 137.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -110.96 100.29 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 3.0 mp -94.08 116.77 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.799 HG23 ' CE1' ' A' ' 4' ' ' PHE . 21.4 m -79.44 149.49 31.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 30' ' ' ILE . 5.4 mt -143.0 161.81 37.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -131.52 63.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.995 HG11 HG22 ' A' ' 26' ' ' VAL . 4.2 m -87.59 -172.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.75 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -130.39 171.17 9.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.09 9.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.4 m -84.26 -13.6 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.561 ' O ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -65.96 -172.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ARG . 77.6 m -133.07 168.24 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 50' ' ' LEU . 15.4 mm -67.39 -50.89 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -54.45 -21.96 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.84 -37.12 27.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.995 HG22 HG11 ' A' ' 17' ' ' VAL . 70.5 t -69.74 -50.1 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HG3' HD22 ' A' ' 43' ' ' LEU . 2.3 mtpm? -57.22 -45.97 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.39 -28.91 8.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 57.3 mttp -78.16 -29.15 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.588 HD11 HD11 ' A' ' 15' ' ' LEU . 9.9 mm -76.2 -29.54 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 86.9 mm-40 -56.89 -46.09 82.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.82 -53.3 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 17.5 mmmt -40.81 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.623 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -97.35 -57.72 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 112.04 33.07 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.89 HG23 ' HD2' ' A' ' 37' ' ' PRO . 2.3 mp -122.58 147.08 49.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.89 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 162.36 37.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.99 1.38 7.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.441 1.759 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.74 -21.07 57.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -121.05 -24.55 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 5.9 mt-30 -73.33 146.13 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -160.3 105.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' ' 27' ' ' LYS . 4.6 tp -79.65 133.38 36.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -142.18 127.24 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 61' ' ' ILE . 11.1 t80 -112.0 136.73 50.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.38 52.87 5.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.17 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -123.21 135.99 54.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 0.811 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 139.6 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -107.68 146.13 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 1.2 mt-10 -121.77 151.5 40.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.5 ' O ' HG21 ' A' ' 22' ' ' THR . 5.8 p-10 -76.48 -18.19 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 -16.87 59.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -83.14 -168.5 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -153.23 160.71 42.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.355 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -64.78 -53.52 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -54.27 -24.28 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -88.51 -33.34 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.2 m-85 -82.7 8.31 12.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 63.28 15.45 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.559 HG12 ' CE2' ' A' ' 45' ' ' PHE . 31.2 mt -64.01 133.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.0 mm100 -119.14 -173.28 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 149.15 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 65.82 10.84 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 43.0 m -75.92 107.1 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 4' ' ' PHE . 96.3 m -79.24 137.86 37.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.38 -171.4 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' ILE . 9.5 m80 -131.93 110.71 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.999 HD23 HG22 ' A' ' 7' ' ' THR . 22.0 tp -96.27 104.94 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 22.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.713 ' HE1' HG23 ' A' ' 17' ' ' VAL . 10.3 ptm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.455 0.169 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -120.3 106.84 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 65' ' ' SER . 2.3 pp -98.7 168.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.896 ' CE1' HG23 ' A' ' 14' ' ' THR . 37.4 m-85 -131.18 -169.3 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -160.73 144.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -112.78 113.01 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.8 HG22 HD23 ' A' ' 69' ' ' LEU . 10.1 p -80.8 178.79 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.59 -33.64 70.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -80.21 -15.5 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 99.41 -27.36 20.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -35.23 128.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.44 123.19 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 2.4 mp -112.3 126.13 69.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.896 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.1 m -81.54 145.66 30.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 14' ' ' THR . 1.9 mm? -127.09 169.5 13.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.82 55.83 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.891 HG11 HG22 ' A' ' 26' ' ' VAL . 12.5 m -91.69 -171.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.835 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -128.85 165.09 34.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -75.06 -17.6 19.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 m -95.6 -8.58 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.747 ' O ' HG22 ' A' ' 55' ' ' THR . 0.7 OUTLIER -74.06 -174.34 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 52' ' ' ASP . 87.1 m -117.49 171.59 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.496 ' HA ' HD13 ' A' ' 23' ' ' ILE . 3.0 mm -70.01 -50.4 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.91 -19.39 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -80.47 -24.56 39.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 HG11 ' A' ' 17' ' ' VAL . 94.4 t -82.09 -50.81 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.37 -42.69 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.59 22.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.4 mttm -76.84 -32.83 57.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 15' ' ' LEU . 6.7 mm -74.2 -26.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 4.3 mp0 -59.1 -49.13 79.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -84.35 -53.78 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 10.3 mmmt -36.39 -62.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.478 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -80.39 -54.94 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.96 2.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.868 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -117.3 146.17 37.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.868 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.03 156.51 42.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.9 1.81 7.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.419 1.747 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.2 -19.07 58.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -121.49 -28.13 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 6.2 mt-30 -64.58 149.19 49.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -160.32 103.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.551 ' HG ' HD12 ' A' ' 67' ' ' LEU . 5.7 tp -79.05 124.84 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mm -128.63 119.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.642 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 7.6 t80 -108.88 138.99 44.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 39.61 47.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.23 63.87 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.7 ptpp? -157.43 128.88 6.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.18 138.38 16.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -107.75 172.12 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -167.82 155.94 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -72.05 -41.16 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.59 -27.21 1.98 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -96.9 -171.34 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -144.97 158.68 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 18' ' ' GLU . 3.0 mt -54.61 -57.17 12.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -58.77 -16.22 15.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 1.1 t70 -90.51 -38.0 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 3.0 m-85 -81.72 5.74 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 80.02 -0.19 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 63.8 mt -57.33 140.82 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.35 -167.21 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 136.04 46.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 70.84 43.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.1 m -108.67 104.47 13.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 4' ' ' PHE . 57.1 m -78.88 124.09 27.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -88.22 -179.17 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ILE . 3.6 m80 -123.67 101.66 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.8 HD23 HG22 ' A' ' 7' ' ' THR . 12.5 tp -87.85 111.44 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.474 ' HE3' ' CD ' ' A' ' 19' ' ' PRO . 8.8 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.458 0.17 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 11.7 pt20 -118.78 94.97 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 62' ' ' GLN . 8.5 pt -94.31 161.14 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 67' ' ' LEU . 24.7 m-85 -123.29 178.73 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.2 p -157.46 144.11 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -107.58 119.26 38.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 7.4 p -92.13 -176.64 4.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 2.0 mm? -53.33 -41.22 65.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.513 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -79.21 -18.68 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 96.48 -18.81 56.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.529 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -36.77 119.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -80.04 112.84 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 11' ' ' LYS . 2.5 mp -104.04 122.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.506 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.4 m -79.84 143.07 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ILE . 2.0 mm? -129.18 130.77 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.369 1.043 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.81 69.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.853 HG11 HG22 ' A' ' 26' ' ' VAL . 4.6 m -104.29 -172.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.5 pt-20 -122.58 160.08 50.12 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.474 ' CD ' ' HE3' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.0 0.29 9.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -112.59 -3.7 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.608 1.193 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 55' ' ' THR . 2.8 m-20 -78.79 -170.73 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' ARG . 87.2 m -123.55 169.54 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 50' ' ' LEU . 15.9 mm -68.89 -48.4 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -55.04 -23.2 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.76 -32.66 41.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.853 HG22 HG11 ' A' ' 17' ' ' VAL . 74.0 t -73.01 -54.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -52.86 -45.02 67.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . . . -50.09 -32.7 16.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mttt -77.02 -30.34 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.636 HG21 HD22 ' A' ' 69' ' ' LEU . 19.3 mm -71.43 -25.46 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -60.45 -49.98 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -83.7 -53.86 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -36.13 -50.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -39.04 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.226 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 97.55 22.09 17.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.833 HG23 ' HD2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -105.72 150.13 38.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.833 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.99 149.39 36.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HB3' ' NE2' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -74.97 0.98 8.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -30.05 69.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -127.39 40.12 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 3.6 mt-30 -114.59 144.79 42.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -159.61 107.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 27' ' ' LYS . 5.7 tp -79.72 128.89 33.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -130.4 119.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.751 ' HB2' HD23 ' A' ' 67' ' ' LEU . 4.3 t80 -107.09 140.14 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 38.78 52.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.99 50.7 11.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.77 150.96 44.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.48 134.04 37.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -102.55 163.0 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 6.3 mt-10 -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' HG21 ' A' ' 22' ' ' THR . 7.8 p-10 -77.7 -10.03 59.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.34 -21.25 32.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.581 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -81.52 -168.87 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 0.772 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -145.83 163.22 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -64.75 -55.82 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 11.9 t -58.49 -17.57 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.54 -36.06 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -85.2 12.16 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.1 t30 70.63 6.78 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.594 HG12 ' CE2' ' A' ' 45' ' ' PHE . 88.5 mt -65.71 134.72 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.651 ' O ' HG22 ' A' ' 3' ' ' ILE . 21.2 pt20 -143.83 -158.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 135.18 40.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.0 mt-10 73.32 38.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 m -99.48 105.73 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.543 HG23 ' HB2' ' A' ' 4' ' ' PHE . 14.0 m -85.12 116.0 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.751 HD23 ' HB2' ' A' ' 45' ' ' PHE . 3.8 mp -98.92 -165.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' ILE . 8.3 m80 -133.07 134.97 45.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD22 HG21 ' A' ' 30' ' ' ILE . 5.4 tp -114.93 104.16 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 6.4 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.449 0.166 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' GLU . 40.0 mt-30 -136.33 160.22 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CG1' ' HB2' ' A' ' 15' ' ' LEU . 5.5 pt -150.6 173.03 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.875 ' CE1' HG23 ' A' ' 14' ' ' THR . 54.9 m-85 -137.0 -172.6 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.17 154.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -121.72 112.59 18.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.641 HG22 HD23 ' A' ' 69' ' ' LEU . 67.4 p -85.54 -169.21 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.1 mm? -63.87 -38.76 92.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.648 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -79.45 -10.32 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 89.95 -17.72 51.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.648 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -36.33 120.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.238 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -90.27 106.58 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.4 mp -99.52 125.44 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.875 HG23 ' CE1' ' A' ' 4' ' ' PHE . 11.1 m -80.71 152.78 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 30' ' ' ILE . 7.1 mt -142.52 152.21 42.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.89 73.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 26' ' ' VAL . 14.2 m -109.84 164.62 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.925 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -99.33 165.85 14.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -13.21 21.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -97.22 -15.18 20.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -59.75 -172.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.9 m -126.68 167.27 15.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 23' ' ' ILE . 8.9 mm -66.46 -47.66 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.85 -21.85 22.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -34.24 31.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG11 HD21 ' A' ' 43' ' ' LEU . 98.0 t -70.94 -56.93 9.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HG3' HD22 ' A' ' 43' ' ' LEU . 3.5 mtpt -51.27 -44.77 61.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.206 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . . . -50.1 -31.7 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 13.9 mttt -79.27 -29.44 42.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.725 HG21 HD22 ' A' ' 69' ' ' LEU . 13.9 mm -73.41 -20.3 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -66.77 -47.2 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -87.43 -50.13 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -36.72 -57.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -89.2 -55.37 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.3 32.38 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.879 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.1 mp -119.12 148.52 45.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.879 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.04 154.02 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.543 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.97 1.64 7.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -25.38 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -118.19 -25.86 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.6 mm-40 -53.14 148.12 8.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -160.6 101.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 HD21 HG11 ' A' ' 26' ' ' VAL . 5.6 tp -79.4 127.07 31.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.81 124.45 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 61' ' ' ILE . 16.7 t80 -114.53 137.15 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 40.48 48.59 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.03 49.11 18.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -140.44 138.59 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.61 139.29 58.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -111.01 157.81 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -147.04 161.72 40.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 53' ' ' GLY . 39.7 p30 -78.94 -14.4 59.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -80.6 -10.84 84.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.604 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.44 -168.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -150.91 164.2 36.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 18' ' ' GLU . 2.1 mt -64.52 -51.82 60.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 30.2 t -61.61 -19.5 62.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 3.1 m-20 -90.27 -33.54 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -86.19 12.32 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 23.6 t30 68.02 10.86 8.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -68.49 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -131.55 -152.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 145.26 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 2' ' ' GLN . 8.6 mt-10 65.3 18.31 11.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 14.3 m -76.11 103.96 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 4' ' ' PHE . 16.1 m -79.38 126.03 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -93.83 -171.65 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -137.52 111.08 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 30' ' ' ILE . 4.2 tp -94.3 118.28 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.562 ' N ' HD12 ' A' ' 69' ' ' LEU . 9.7 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.539 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -121.2 97.55 5.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 15' ' ' LEU . 2.3 pp -90.18 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CE1' HG23 ' A' ' 14' ' ' THR . 54.6 m-85 -128.12 175.61 8.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.747 HG23 HD23 ' A' ' 15' ' ' LEU . 67.5 t -143.79 137.34 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -111.33 108.99 18.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.553 HG22 HD23 ' A' ' 69' ' ' LEU . 11.8 p -80.29 -171.3 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.84 -33.79 76.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -79.68 -5.98 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.27 -21.31 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -37.18 136.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 115.39 30.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.495 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -107.03 125.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.615 HG23 ' CE1' ' A' ' 4' ' ' PHE . 3.0 m -80.11 144.98 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.747 HD23 HG23 ' A' ' 5' ' ' VAL . 2.6 mm? -130.94 159.63 36.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 61.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.887 HG11 HG22 ' A' ' 26' ' ' VAL . 3.3 m -92.0 -172.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.698 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 pt-20 -127.72 160.68 59.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.03 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -109.4 -6.36 15.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.717 ' O ' HG22 ' A' ' 55' ' ' THR . 2.3 m-20 -77.28 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 54' ' ' ARG . 89.3 m -124.53 168.32 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.451 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 23' ' ' ILE . 12.5 mm -65.5 -50.27 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.1 -24.03 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.68 -31.13 41.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.887 HG22 HG11 ' A' ' 17' ' ' VAL . 75.2 t -72.8 -52.49 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HG3' HD12 ' A' ' 43' ' ' LEU . 32.9 mtpt -54.46 -44.21 72.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . . . -50.58 -31.97 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 20.1 mttt -77.31 -31.77 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.864 HG21 HD22 ' A' ' 69' ' ' LEU . 12.1 mm -72.0 -21.39 20.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.506 ' O ' ' CA ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -66.32 -51.16 60.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.1 t0 -82.06 -49.96 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -37.79 -48.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.725 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -100.23 -27.19 13.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 88.54 17.97 55.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.881 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.6 mt -96.66 148.81 34.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.881 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.04 149.88 37.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -67.54 -30.97 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -127.87 47.6 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 3.6 mt-30 -125.78 144.98 50.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -160.23 101.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.874 ' CD1' HG12 ' A' ' 26' ' ' VAL . 9.5 mt -81.7 127.26 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.3 mt -126.48 143.72 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 10.7 t80 -121.38 143.55 49.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.05 43.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.49 44.04 45.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.06 144.55 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.31 135.4 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -107.44 154.58 21.13 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 17.1 mt-10 -123.78 150.42 44.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' HG21 ' A' ' 22' ' ' THR . 75.3 m-20 -78.27 -3.19 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.69 -21.4 14.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.4 mmt180 -79.5 -170.49 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -147.91 159.89 43.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 110.44 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -61.37 -52.71 63.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 31.1 p -59.68 -20.83 58.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -19.89 23.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.5 m-85 -97.63 -1.96 42.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 6.1 m120 78.71 7.42 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.614 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 51.4 mt -63.71 137.34 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -130.24 -158.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 149.11 27.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 3.7 mt-10 69.13 10.9 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 m -76.8 128.68 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 4' ' ' PHE . 26.5 m -99.57 132.04 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -100.32 -170.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ILE . 13.2 m80 -133.01 119.86 20.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.542 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.864 HD22 HG21 ' A' ' 30' ' ' ILE . 20.3 tp -107.41 108.66 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.9 m -120.17 -175.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 71' ' ' LEU . 5.9 tp -94.86 178.37 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -135.29 -172.54 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -59.52 170.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.579 ' N ' HD12 ' A' ' 73' ' ' LEU . 4.7 ptp180 -63.76 -174.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.93 -62.48 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.431 1.082 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 64' ' ' GLU . 2.5 mt-30 -115.19 113.72 24.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.466 ' CG1' ' HB2' ' A' ' 15' ' ' LEU . 10.7 pt -105.72 159.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' CE1' HG23 ' A' ' 14' ' ' THR . 27.7 m-85 -122.84 -177.37 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.56 144.52 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.5 mttt -118.04 125.21 49.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 69' ' ' LEU . 70.0 p -80.07 -154.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -77.54 -38.09 49.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 10' ' ' GLY . 6.2 t -77.28 -55.41 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.377 1.048 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' N ' HG23 ' A' ' 9' ' ' THR . . . 138.17 43.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 110.99 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -81.19 105.78 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.05 120.6 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.641 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.2 m -79.19 142.2 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 14' ' ' THR . 1.5 mm? -123.92 164.14 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.01 61.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.223 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.881 HG11 HG22 ' A' ' 26' ' ' VAL . 17.6 m -99.46 -175.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.381 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -122.95 172.64 5.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -75.03 -18.2 18.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -94.14 -13.34 26.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.715 ' O ' HG22 ' A' ' 55' ' ' THR . 1.1 m-20 -64.56 -175.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.218 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 54' ' ' ARG . 93.8 m -127.5 171.4 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 50' ' ' LEU . 26.0 mm -68.66 -47.95 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -58.18 -19.32 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -33.14 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.881 HG22 HG11 ' A' ' 17' ' ' VAL . 91.1 t -73.05 -57.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -50.19 -45.21 53.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HA ' HE21 ' A' ' 31' ' ' GLN . . . -49.13 -33.83 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 16.4 mtpt -78.09 -33.51 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.599 HG21 HD22 ' A' ' 69' ' ' LEU . 14.0 mm -68.71 -23.46 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.536 HE21 ' HA ' ' A' ' 28' ' ' ALA . 1.5 mp0 -63.02 -48.09 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.4 t0 -89.21 -50.84 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -37.26 -41.33 0.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -105.99 -48.26 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 108.32 26.36 5.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.893 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.5 mp -112.5 147.07 36.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.893 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 153.0 41.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 1.59 7.57 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -24.94 63.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.46 -25.4 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.1 mm-40 -55.56 146.42 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.562 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.9 ttm180 -160.21 96.32 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 27' ' ' LYS . 3.4 tp -79.28 127.74 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -136.06 119.85 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 13.0 t80 -97.67 139.05 34.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.8 40.36 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.27 37.01 71.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -126.04 142.15 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.81 131.47 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.566 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -95.62 -175.33 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -160.23 146.34 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 2.9 p30 -74.77 -4.97 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.26 -25.18 12.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -79.68 -170.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -153.06 158.19 41.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.1 mt -57.57 -53.44 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -60.87 -17.78 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.9 -26.16 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -97.03 13.29 29.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 27.9 t-20 63.13 13.54 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 44.2 mt -63.9 128.05 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 2.6 mm-40 -126.5 152.87 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -39.88 140.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLN . 5.1 mt-10 76.4 36.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -102.41 121.99 43.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.521 HG23 ' HB2' ' A' ' 4' ' ' PHE . 25.8 m -93.34 122.28 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -90.12 -175.44 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -130.55 109.43 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.644 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD22 HG21 ' A' ' 30' ' ' ILE . 5.1 tp -91.44 117.05 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 42' ' ' ARG . 16.3 m -130.64 173.51 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -85.56 -174.24 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -142.91 175.31 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.594 HD12 ' H ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 36.69 -151.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.594 ' H ' HD12 ' A' ' 73' ' ' LEU . 26.8 ptt180 -119.28 162.7 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.244 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.71 -62.78 0.85 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.447 0.165 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -146.01 108.8 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.426 HG12 HG22 ' A' ' 17' ' ' VAL . 1.1 pt -109.04 177.97 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.524 ' HB2' HG23 ' A' ' 66' ' ' THR . 63.4 m-85 -133.09 179.11 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.082 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.733 HG23 HD23 ' A' ' 15' ' ' LEU . 70.4 t -146.34 135.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -103.48 120.29 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.046 HG22 HD23 ' A' ' 69' ' ' LEU . 30.5 p -95.28 158.3 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD12 HD23 ' A' ' 71' ' ' LEU . 95.9 mt -54.93 -28.32 50.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.63 1.206 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -79.64 -1.09 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.72 39.14 49.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.31 145.52 29.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 13' ' ' ILE . 3.8 mp -112.67 123.73 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.536 ' C ' HD22 ' A' ' 15' ' ' LEU . 24.6 m -81.07 146.53 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.733 HD23 HG23 ' A' ' 5' ' ' VAL . 2.8 mm? -132.33 149.21 52.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.75 62.04 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.828 HG11 HG22 ' A' ' 26' ' ' VAL . 19.3 m -101.09 143.1 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.643 ' O ' HD12 ' A' ' 56' ' ' LEU . 18.6 mm-40 -78.18 160.52 73.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.81 14.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -104.94 -14.8 15.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -65.28 -166.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 54' ' ' ARG . 91.4 m -127.45 171.78 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' A' ' 50' ' ' LEU . 18.5 mm -69.77 -40.95 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.219 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -61.85 -24.77 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.215 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 22' ' ' THR . 1.6 m120 -81.57 -27.43 34.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.828 HG22 HG11 ' A' ' 17' ' ' VAL . 73.8 t -77.95 -49.12 22.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.817 ' HG3' HD12 ' A' ' 43' ' ' LEU . 20.8 mtpt -56.74 -47.61 79.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.92 -34.25 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.6 mttm -72.8 -35.04 67.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' LYS . 16.3 mm -66.9 -25.46 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 83.5 mm-40 -62.18 -63.25 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.8 t0 -68.71 -49.45 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmpt? -35.68 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.91 -50.04 11.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 112.07 40.94 1.12 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.865 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.8 mt -123.01 145.62 46.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.622 0.836 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.865 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.06 161.39 38.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.0 Cg_endo -75.03 1.6 7.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -13.0 59.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -139.21 25.95 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 4.6 mt-30 -122.63 143.66 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -160.06 103.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' A' ' 27' ' ' LYS . 9.5 mt -79.74 135.17 36.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.354 1.033 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -139.8 139.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.655 ' HB2' HD21 ' A' ' 50' ' ' LEU . 10.7 t80 -119.54 140.13 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.3 48.7 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.46 44.24 11.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -130.74 132.03 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.35 120.6 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -90.67 158.61 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 28.3 mt-10 -129.46 148.45 51.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 1.8 p30 -75.85 -3.46 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.32 -19.56 16.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -80.92 -165.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.65 165.19 32.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -70.24 -50.7 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.616 1.197 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -61.52 -16.62 49.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.455 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 1.2 m-20 -90.52 -38.2 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.506 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.5 m-85 -79.8 1.51 26.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 6.3 m120 79.35 5.86 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 56' ' ' LEU . 51.4 mt -59.01 136.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 22.7 pt20 -133.17 -157.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -81.66 142.38 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.33 14.97 7.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 4.0 m -80.44 105.3 11.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.539 ' C ' HD22 ' A' ' 67' ' ' LEU . 77.9 m -79.08 139.58 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -103.84 -172.98 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ILE . 10.2 m80 -132.02 109.71 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.046 HD23 HG22 ' A' ' 7' ' ' THR . 18.2 tp -93.83 104.78 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m -110.7 -173.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD23 HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -92.15 -176.4 4.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.31 163.58 32.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.734 ' O ' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -55.64 170.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.654 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 64.74 176.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.37 67.81 0.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -147.13 101.9 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.643 HD11 ' CG2' ' A' ' 17' ' ' VAL . 9.4 pt -90.98 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.684 ' CE1' HG23 ' A' ' 14' ' ' THR . 62.4 m-85 -135.91 172.77 12.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.696 HG23 HD23 ' A' ' 15' ' ' LEU . 71.2 t -137.46 138.57 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -111.09 111.61 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.905 HG22 HD23 ' A' ' 69' ' ' LEU . 14.7 p -85.16 176.48 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.3 mm? -57.78 -35.79 71.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 11' ' ' LYS . 1.2 t -80.45 -12.58 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.54 -9.74 66.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -40.46 130.97 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.268 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -99.7 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' HE3' ' A' ' 33' ' ' LYS . 5.4 mp -109.89 118.83 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.684 HG23 ' CE1' ' A' ' 4' ' ' PHE . 9.0 m -80.03 140.84 36.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD23 HG23 ' A' ' 5' ' ' VAL . 2.9 mm? -134.26 135.53 42.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -107.51 74.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.643 ' CG2' HD11 ' A' ' 3' ' ' ILE . 3.3 m -109.66 145.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.5 pt-20 -77.8 158.7 77.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -74.99 -7.59 19.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -100.39 -6.95 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.726 ' O ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -74.09 -169.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 26' ' ' VAL . 91.5 m -125.14 169.97 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 27' ' ' LYS . 5.6 mm -65.76 -49.67 75.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -55.42 -23.27 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -28.21 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.741 HG12 ' CD1' ' A' ' 43' ' ' LEU . 68.9 t -78.52 -46.54 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.887 ' HG3' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -61.47 -46.52 89.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.13 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 5.4 mtpm? -76.24 -31.24 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.501 HD11 ' HG ' ' A' ' 15' ' ' LEU . 15.4 mm -71.89 -18.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.6 mm-40 -70.15 -66.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -40.48 97.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 11.5 mmmt -42.87 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -85.33 -57.46 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.95 50.28 0.22 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.843 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -130.49 145.77 58.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 158.78 41.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.99 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.23 -21.71 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.856 ' HB3' HD13 ' A' ' 71' ' ' LEU . 1.2 mt-30 -119.53 -28.99 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 5.7 mt-30 -69.06 146.07 52.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -160.47 102.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.887 HD12 ' HG3' ' A' ' 27' ' ' LYS . 10.7 mt -79.67 133.7 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.1 mt -135.35 139.77 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.636 ' HB2' HD21 ' A' ' 50' ' ' LEU . 16.2 t80 -125.99 137.14 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.97 49.96 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.95 43.72 5.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 141.31 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 137.85 58.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -112.29 135.29 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.02 164.34 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -83.29 -0.65 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.8 -18.92 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 13.8 mmt180 -91.82 -170.88 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -147.68 162.55 38.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 18' ' ' GLU . 2.4 mt -62.0 -51.62 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 t -62.46 -19.88 63.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.058 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -25.44 20.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.7 m-85 -91.67 0.27 57.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 4.4 m120 80.34 4.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.586 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 56.7 mt -61.36 135.63 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.28 -160.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 8.1 mt-10 74.42 3.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.224 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -70.5 108.36 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.504 ' C ' HD22 ' A' ' 67' ' ' LEU . 95.6 m -79.37 138.96 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -102.86 -174.9 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ILE . 7.9 m80 -130.59 117.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.905 HD23 HG22 ' A' ' 7' ' ' THR . 6.6 tp -99.7 118.75 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.492 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 12.4 m -123.42 166.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.856 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -105.16 168.48 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -119.27 -175.61 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.561 ' O ' ' C ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -56.98 176.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.538 1.149 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.561 ' C ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER 25.2 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.79 54.54 2.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.442 0.163 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -113.42 140.93 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.626 HG12 HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -134.32 179.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.781 ' CE1' HG23 ' A' ' 14' ' ' THR . 39.7 m-85 -140.88 -173.18 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -161.18 147.22 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.92 121.82 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.111 HG22 HD23 ' A' ' 69' ' ' LEU . 45.5 p -97.89 163.3 12.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.21 -28.77 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.7 t -83.13 7.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.19 52.01 55.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.595 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.38 126.94 55.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 m -92.64 106.21 18.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.2 mp -104.08 125.22 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.781 HG23 ' CE1' ' A' ' 4' ' ' PHE . 4.1 m -79.04 148.07 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt -142.6 135.94 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.42 80.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.029 HG11 HG22 ' A' ' 26' ' ' VAL . 13.3 m -104.04 -176.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.778 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -121.05 167.59 12.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 18' ' ' GLU . 18.1 Cg_endo -74.97 -18.34 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -93.15 -14.98 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.574 ' O ' HG22 ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.1 -173.52 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 52' ' ' ASP . 81.9 m -131.58 172.68 11.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.657 HD12 HD23 ' A' ' 50' ' ' LEU . 40.8 mm -71.31 -50.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 9.2 pt-20 -52.77 -24.7 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -80.02 -41.8 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.029 HG22 HG11 ' A' ' 17' ' ' VAL . 71.6 t -63.84 -49.52 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.611 ' HD2' HG22 ' A' ' 23' ' ' ILE . 13.2 mtpt -55.51 -48.01 75.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.41 -27.15 5.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.91 -29.93 44.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 15' ' ' LEU . 11.7 mm -73.86 -25.03 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 80.7 mm-40 -61.55 -44.91 96.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.2 t0 -90.05 -53.29 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 1.4 mmpt? -36.37 -52.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.59 -46.59 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 105.28 21.49 8.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.902 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -103.7 146.67 32.95 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 0.741 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.902 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.03 162.01 37.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.18 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -129.62 46.68 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 3.3 mm-40 -130.53 139.95 50.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB3' HG23 ' A' ' 70' ' ' VAL . 12.9 ttp85 -159.79 111.71 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD22 ' HG3' ' A' ' 27' ' ' LYS . 4.6 tp -81.59 135.02 35.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mt -141.52 123.54 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 61' ' ' ILE . 17.6 t80 -110.82 136.39 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.86 59.86 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 37.67 43.69 1.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 147.51 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.68 144.6 47.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -105.52 -177.29 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -154.19 147.73 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' O ' HG21 ' A' ' 22' ' ' THR . 3.3 p-10 -75.18 -14.04 60.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.56 -19.52 37.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.6 mmt180 -79.67 -170.65 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -152.34 161.16 43.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.2 mt -62.96 -52.44 63.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 t -61.6 -17.01 53.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.75 -26.26 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.3 m-85 -95.02 1.75 55.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 7.4 m-80 76.03 7.05 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 ' CE2' ' A' ' 45' ' ' PHE . 49.9 mt -57.89 136.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.33 -152.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -83.43 152.36 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 57.2 38.11 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 m -99.75 103.0 14.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 4' ' ' PHE . 42.7 m -78.77 127.76 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -91.27 -173.89 3.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ILE . 11.2 m80 -132.99 109.68 9.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.111 HD23 HG22 ' A' ' 7' ' ' THR . 4.4 tp -93.16 117.43 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 42' ' ' ARG . 17.4 m -123.14 178.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 40' ' ' GLN . 2.2 tp -92.42 -169.92 2.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 164.33 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.559 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.81 -174.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.68 119.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.09 50.36 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -140.23 106.69 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.567 HD13 ' CG2' ' A' ' 17' ' ' VAL . 8.3 pt -102.41 170.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.882 ' CE1' HG23 ' A' ' 14' ' ' THR . 49.7 m-85 -134.04 -172.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 p -160.85 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.47 118.37 29.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.38 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.701 ' OG1' HG22 ' A' ' 9' ' ' THR . 1.4 p -88.13 -167.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.2 mt -80.18 -27.33 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.701 HG22 ' OG1' ' A' ' 7' ' ' THR . 1.1 t -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.79 3.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 122.89 44.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 109.229 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -87.86 105.75 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.7 mp -101.63 123.26 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.882 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.0 m -78.88 148.18 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt -141.96 145.45 34.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.12 77.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.567 ' CG2' HD13 ' A' ' 3' ' ' ILE . 15.0 m -119.15 135.11 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.904 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -72.94 173.7 5.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.0 Cg_endo -74.93 -17.02 20.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -89.25 -20.32 24.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.964 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.35 176.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' ARG . 63.5 m -122.04 167.45 13.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.509 HD12 HD23 ' A' ' 50' ' ' LEU . 18.3 mm -66.92 -52.09 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.96 -22.57 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -40.1 25.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.616 HG11 HD21 ' A' ' 43' ' ' LEU . 96.0 t -64.64 -56.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -50.48 -46.87 57.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.69 -33.08 6.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.2 mttp -78.74 -33.73 46.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.513 HD11 ' CD1' ' A' ' 15' ' ' LEU . 15.4 mm -68.27 -23.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.475 HE21 ' NE2' ' A' ' 41' ' ' GLN . 3.9 mp0 -66.62 -49.56 65.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LYS . 5.2 t0 -84.17 -49.19 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 2.7 mmpt? -37.75 -63.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.18 31.28 1.74 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.908 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.1 mp -117.05 148.53 42.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.908 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.04 151.49 39.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.536 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.92 1.43 7.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -24.44 63.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 4.9 mt-30 -119.04 -25.67 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.4 mm-40 -54.65 149.37 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -160.41 100.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.693 ' HG ' HD12 ' A' ' 67' ' ' LEU . 6.5 tp -79.48 131.48 36.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.85 119.94 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 14.3 t80 -100.33 139.49 35.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.2 46.64 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.94 38.21 30.6 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' PHE . 3.1 ttmm -129.19 140.27 51.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 0.829 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 142.28 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.57 -176.83 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 4.8 mt-10 -158.08 146.86 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' O ' ' CG2' ' A' ' 22' ' ' THR . 13.5 p-10 -75.06 -23.8 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.69 -13.99 74.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -86.23 -166.61 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -154.14 165.54 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -69.16 -53.09 21.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t -57.16 -21.74 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 12.9 m-20 -89.29 -33.38 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m-85 -83.65 9.15 12.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 27.4 t-20 65.42 14.18 9.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 56' ' ' LEU . 29.9 mt -62.51 131.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' LYS . 3.0 mt-30 -125.18 149.85 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -39.1 146.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 72.13 22.68 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -84.6 126.36 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 4' ' ' PHE . 37.1 m -99.63 123.26 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -87.92 -177.83 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -132.32 111.52 11.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 30' ' ' ILE . 15.8 tp -92.79 118.04 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.57 HG23 ' HB3' ' A' ' 42' ' ' ARG . 16.4 m -125.95 173.05 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -106.76 156.49 18.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -96.85 140.23 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.68 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -59.13 178.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' O ' HD23 ' A' ' 73' ' ' LEU . 14.7 ptt180 -38.04 137.71 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.66 50.26 4.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 49.1 mt-30 -126.83 94.79 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.542 HG12 HG22 ' A' ' 17' ' ' VAL . 1.2 pt -82.71 -175.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.373 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 14' ' ' THR . 46.4 m-85 -144.95 -171.37 3.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.446 ' CG2' HD11 ' A' ' 15' ' ' LEU . 52.4 t -150.43 138.5 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.31 114.53 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.389 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.999 HG22 HD23 ' A' ' 69' ' ' LEU . 18.2 p -93.31 170.45 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 3.5 mm? -53.84 -36.75 62.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.744 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.2 t -79.85 0.1 32.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 83.46 -10.87 57.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -39.66 137.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -110.96 100.29 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 3.0 mp -94.08 116.77 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.799 HG23 ' CE1' ' A' ' 4' ' ' PHE . 21.4 m -79.44 149.49 31.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 30' ' ' ILE . 5.4 mt -143.0 161.81 37.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -131.52 63.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.995 HG11 HG22 ' A' ' 26' ' ' VAL . 4.2 m -87.59 -172.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.75 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -130.39 171.17 9.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.09 9.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.4 m -84.26 -13.6 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.561 ' O ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -65.96 -172.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ARG . 77.6 m -133.07 168.24 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 50' ' ' LEU . 15.4 mm -67.39 -50.89 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -54.45 -21.96 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.84 -37.12 27.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.995 HG22 HG11 ' A' ' 17' ' ' VAL . 70.5 t -69.74 -50.1 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HG3' HD22 ' A' ' 43' ' ' LEU . 2.3 mtpm? -57.22 -45.97 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.39 -28.91 8.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 57.3 mttp -78.16 -29.15 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.588 HD11 HD11 ' A' ' 15' ' ' LEU . 9.9 mm -76.2 -29.54 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 86.9 mm-40 -56.89 -46.09 82.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.82 -53.3 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 17.5 mmmt -40.81 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.623 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -97.35 -57.72 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 112.04 33.07 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.89 HG23 ' HD2' ' A' ' 37' ' ' PRO . 2.3 mp -122.58 147.08 49.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.89 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 162.36 37.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.99 1.38 7.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.441 1.759 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.74 -21.07 57.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -121.05 -24.55 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 5.9 mt-30 -73.33 146.13 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 72' ' ' ARG . 15.8 ttp85 -160.3 105.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' ' 27' ' ' LYS . 4.6 tp -79.65 133.38 36.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -142.18 127.24 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 61' ' ' ILE . 11.1 t80 -112.0 136.73 50.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.38 52.87 5.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.17 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -123.21 135.99 54.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 0.811 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 139.6 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -107.68 146.13 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 1.2 mt-10 -121.77 151.5 40.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.5 ' O ' HG21 ' A' ' 22' ' ' THR . 5.8 p-10 -76.48 -18.19 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 -16.87 59.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -83.14 -168.5 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -153.23 160.71 42.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.355 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -64.78 -53.52 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -54.27 -24.28 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -88.51 -33.34 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.2 m-85 -82.7 8.31 12.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 63.28 15.45 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.559 HG12 ' CE2' ' A' ' 45' ' ' PHE . 31.2 mt -64.01 133.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.0 mm100 -119.14 -173.28 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 149.15 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 65.82 10.84 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 43.0 m -75.92 107.1 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 4' ' ' PHE . 96.3 m -79.24 137.86 37.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.38 -171.4 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' ILE . 9.5 m80 -131.93 110.71 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.999 HD23 HG22 ' A' ' 7' ' ' THR . 22.0 tp -96.27 104.94 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 22.5 m -113.22 176.46 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 71' ' ' LEU . 1.1 tp -93.54 -174.32 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -141.21 174.87 10.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 39.59 -158.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.67 56.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 -76.32 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.713 ' HE1' HG23 ' A' ' 17' ' ' VAL . 10.3 ptm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.455 0.169 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -120.3 106.84 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 65' ' ' SER . 2.3 pp -98.7 168.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.896 ' CE1' HG23 ' A' ' 14' ' ' THR . 37.4 m-85 -131.18 -169.3 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -160.73 144.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -112.78 113.01 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.8 HG22 HD23 ' A' ' 69' ' ' LEU . 10.1 p -80.8 178.79 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 71' ' ' LEU . 31.4 mt -58.59 -33.64 70.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -80.21 -15.5 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 99.41 -27.36 20.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -35.23 128.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.44 123.19 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 2.4 mp -112.3 126.13 69.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.896 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.1 m -81.54 145.66 30.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 14' ' ' THR . 1.9 mm? -127.09 169.5 13.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.82 55.83 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.891 HG11 HG22 ' A' ' 26' ' ' VAL . 12.5 m -91.69 -171.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.835 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -128.85 165.09 34.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -75.06 -17.6 19.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 m -95.6 -8.58 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.747 ' O ' HG22 ' A' ' 55' ' ' THR . 0.7 OUTLIER -74.06 -174.34 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 52' ' ' ASP . 87.1 m -117.49 171.59 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.496 ' HA ' HD13 ' A' ' 23' ' ' ILE . 3.0 mm -70.01 -50.4 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.91 -19.39 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -80.47 -24.56 39.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 HG11 ' A' ' 17' ' ' VAL . 94.4 t -82.09 -50.81 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.37 -42.69 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.59 22.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.4 mttm -76.84 -32.83 57.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 15' ' ' LEU . 6.7 mm -74.2 -26.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 4.3 mp0 -59.1 -49.13 79.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -84.35 -53.78 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 10.3 mmmt -36.39 -62.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.478 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -80.39 -54.94 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.96 2.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.868 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -117.3 146.17 37.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.868 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.03 156.51 42.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.9 1.81 7.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.419 1.747 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.2 -19.07 58.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -121.49 -28.13 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 6.2 mt-30 -64.58 149.19 49.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -160.32 103.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.551 ' HG ' HD12 ' A' ' 67' ' ' LEU . 5.7 tp -79.05 124.84 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mm -128.63 119.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.642 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 7.6 t80 -108.88 138.99 44.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 39.61 47.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.23 63.87 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.7 ptpp? -157.43 128.88 6.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.18 138.38 16.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -107.75 172.12 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -167.82 155.94 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -72.05 -41.16 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.59 -27.21 1.98 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -96.9 -171.34 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -144.97 158.68 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 18' ' ' GLU . 3.0 mt -54.61 -57.17 12.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -58.77 -16.22 15.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 1.1 t70 -90.51 -38.0 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 3.0 m-85 -81.72 5.74 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.599 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 80.02 -0.19 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 63.8 mt -57.33 140.82 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.35 -167.21 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 136.04 46.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 70.84 43.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.1 m -108.67 104.47 13.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 4' ' ' PHE . 57.1 m -78.88 124.09 27.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -88.22 -179.17 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ILE . 3.6 m80 -123.67 101.66 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.8 HD23 HG22 ' A' ' 7' ' ' THR . 12.5 tp -87.85 111.44 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.6 m -124.78 -179.19 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.593 ' HB2' HD11 ' A' ' 8' ' ' LEU . 1.6 tp -95.53 -169.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.381 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -143.66 157.05 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.658 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.88 -179.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -37.89 138.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.97 57.85 0.41 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.586 1.179 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HE3' ' CD ' ' A' ' 19' ' ' PRO . 8.8 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.458 0.17 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 11.7 pt20 -118.78 94.97 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 62' ' ' GLN . 8.5 pt -94.31 161.14 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 67' ' ' LEU . 24.7 m-85 -123.29 178.73 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.2 p -157.46 144.11 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -107.58 119.26 38.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 7.4 p -92.13 -176.64 4.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 2.0 mm? -53.33 -41.22 65.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.513 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -79.21 -18.68 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 96.48 -18.81 56.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.529 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -36.77 119.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -80.04 112.84 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 11' ' ' LYS . 2.5 mp -104.04 122.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.506 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.4 m -79.84 143.07 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ILE . 2.0 mm? -129.18 130.77 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.369 1.043 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.81 69.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.853 HG11 HG22 ' A' ' 26' ' ' VAL . 4.6 m -104.29 -172.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.5 pt-20 -122.58 160.08 50.12 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.474 ' CD ' ' HE3' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.0 0.29 9.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -112.59 -3.7 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.608 1.193 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 55' ' ' THR . 2.8 m-20 -78.79 -170.73 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' ARG . 87.2 m -123.55 169.54 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 50' ' ' LEU . 15.9 mm -68.89 -48.4 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -55.04 -23.2 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.76 -32.66 41.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.853 HG22 HG11 ' A' ' 17' ' ' VAL . 74.0 t -73.01 -54.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -52.86 -45.02 67.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . . . -50.09 -32.7 16.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mttt -77.02 -30.34 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.636 HG21 HD22 ' A' ' 69' ' ' LEU . 19.3 mm -71.43 -25.46 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -60.45 -49.98 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -83.7 -53.86 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -36.13 -50.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -39.04 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.226 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 97.55 22.09 17.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.833 HG23 ' HD2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -105.72 150.13 38.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.833 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.99 149.39 36.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HB3' ' NE2' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -74.97 0.98 8.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -30.05 69.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -127.39 40.12 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 3.6 mt-30 -114.59 144.79 42.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -159.61 107.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 27' ' ' LYS . 5.7 tp -79.72 128.89 33.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -130.4 119.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.751 ' HB2' HD23 ' A' ' 67' ' ' LEU . 4.3 t80 -107.09 140.14 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 38.78 52.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.99 50.7 11.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.77 150.96 44.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.48 134.04 37.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -102.55 163.0 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 6.3 mt-10 -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' HG21 ' A' ' 22' ' ' THR . 7.8 p-10 -77.7 -10.03 59.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.34 -21.25 32.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.581 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -81.52 -168.87 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 0.772 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -145.83 163.22 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -64.75 -55.82 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 11.9 t -58.49 -17.57 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.54 -36.06 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -85.2 12.16 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.1 t30 70.63 6.78 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.594 HG12 ' CE2' ' A' ' 45' ' ' PHE . 88.5 mt -65.71 134.72 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.651 ' O ' HG22 ' A' ' 3' ' ' ILE . 21.2 pt20 -143.83 -158.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 135.18 40.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.0 mt-10 73.32 38.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 m -99.48 105.73 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.543 HG23 ' HB2' ' A' ' 4' ' ' PHE . 14.0 m -85.12 116.0 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.751 HD23 ' HB2' ' A' ' 45' ' ' PHE . 3.8 mp -98.92 -165.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' ILE . 8.3 m80 -133.07 134.97 45.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD22 HG21 ' A' ' 30' ' ' ILE . 5.4 tp -114.93 104.16 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 6.4 m -105.89 154.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.36 153.5 46.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -103.7 -176.07 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -92.13 -176.65 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.2 109.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.07 -58.19 2.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.449 0.166 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' GLU . 40.0 mt-30 -136.33 160.22 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CG1' ' HB2' ' A' ' 15' ' ' LEU . 5.5 pt -150.6 173.03 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.875 ' CE1' HG23 ' A' ' 14' ' ' THR . 54.9 m-85 -137.0 -172.6 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.17 154.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -121.72 112.59 18.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.641 HG22 HD23 ' A' ' 69' ' ' LEU . 67.4 p -85.54 -169.21 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.1 mm? -63.87 -38.76 92.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.648 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -79.45 -10.32 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 89.95 -17.72 51.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.648 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -36.33 120.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.238 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -90.27 106.58 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.4 mp -99.52 125.44 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.875 HG23 ' CE1' ' A' ' 4' ' ' PHE . 11.1 m -80.71 152.78 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 30' ' ' ILE . 7.1 mt -142.52 152.21 42.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.89 73.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 26' ' ' VAL . 14.2 m -109.84 164.62 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.925 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -99.33 165.85 14.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -13.21 21.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -97.22 -15.18 20.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -59.75 -172.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.9 m -126.68 167.27 15.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 23' ' ' ILE . 8.9 mm -66.46 -47.66 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.85 -21.85 22.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -34.24 31.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG11 HD21 ' A' ' 43' ' ' LEU . 98.0 t -70.94 -56.93 9.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HG3' HD22 ' A' ' 43' ' ' LEU . 3.5 mtpt -51.27 -44.77 61.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.206 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HA ' ' NE2' ' A' ' 31' ' ' GLN . . . -50.1 -31.7 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 13.9 mttt -79.27 -29.44 42.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.725 HG21 HD22 ' A' ' 69' ' ' LEU . 13.9 mm -73.41 -20.3 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -66.77 -47.2 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -87.43 -50.13 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -36.72 -57.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -89.2 -55.37 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.3 32.38 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.879 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.1 mp -119.12 148.52 45.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.879 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.04 154.02 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.543 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.97 1.64 7.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -25.38 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -118.19 -25.86 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.6 mm-40 -53.14 148.12 8.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -160.6 101.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 HD21 HG11 ' A' ' 26' ' ' VAL . 5.6 tp -79.4 127.07 31.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.81 124.45 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 61' ' ' ILE . 16.7 t80 -114.53 137.15 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 40.48 48.59 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.03 49.11 18.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -140.44 138.59 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.61 139.29 58.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -111.01 157.81 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -147.04 161.72 40.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 53' ' ' GLY . 39.7 p30 -78.94 -14.4 59.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -80.6 -10.84 84.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.604 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.44 -168.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -150.91 164.2 36.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 18' ' ' GLU . 2.1 mt -64.52 -51.82 60.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 30.2 t -61.61 -19.5 62.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 3.1 m-20 -90.27 -33.54 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -86.19 12.32 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 23.6 t30 68.02 10.86 8.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -68.49 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -131.55 -152.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 145.26 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 2' ' ' GLN . 8.6 mt-10 65.3 18.31 11.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 14.3 m -76.11 103.96 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 4' ' ' PHE . 16.1 m -79.38 126.03 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -93.83 -171.65 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -137.52 111.08 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 30' ' ' ILE . 4.2 tp -94.3 118.28 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.562 ' N ' HD12 ' A' ' 69' ' ' LEU . 9.7 m -131.06 163.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -84.38 -174.67 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.554 ' CZ ' HD21 ' A' ' 73' ' ' LEU . 1.8 mtp85 -141.43 168.28 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -47.6 174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' LEU . 3.3 ptt180 36.56 83.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.95 48.41 3.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.539 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -121.2 97.55 5.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 15' ' ' LEU . 2.3 pp -90.18 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CE1' HG23 ' A' ' 14' ' ' THR . 54.6 m-85 -128.12 175.61 8.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.747 HG23 HD23 ' A' ' 15' ' ' LEU . 67.5 t -143.79 137.34 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -111.33 108.99 18.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.553 HG22 HD23 ' A' ' 69' ' ' LEU . 11.8 p -80.29 -171.3 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.84 -33.79 76.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -79.68 -5.98 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.27 -21.31 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -37.18 136.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 115.39 30.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 13' ' ' ILE . 4.1 mp -107.03 125.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.615 HG23 ' CE1' ' A' ' 4' ' ' PHE . 3.0 m -80.11 144.98 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.747 HD23 HG23 ' A' ' 5' ' ' VAL . 2.6 mm? -130.94 159.63 36.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 61.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.887 HG11 HG22 ' A' ' 26' ' ' VAL . 3.3 m -92.0 -172.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.698 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 pt-20 -127.72 160.68 59.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.03 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -109.4 -6.36 15.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.717 ' O ' HG22 ' A' ' 55' ' ' THR . 2.3 m-20 -77.28 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 54' ' ' ARG . 89.3 m -124.53 168.32 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.451 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' ILE . 12.5 mm -65.5 -50.27 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.1 -24.03 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.68 -31.13 41.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.887 HG22 HG11 ' A' ' 17' ' ' VAL . 75.2 t -72.8 -52.49 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HG3' HD12 ' A' ' 43' ' ' LEU . 32.9 mtpt -54.46 -44.21 72.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.58 -31.97 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 20.1 mttt -77.31 -31.77 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.864 HG21 HD22 ' A' ' 69' ' ' LEU . 12.1 mm -72.0 -21.39 20.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.78 HE21 ' NE2' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -66.32 -51.16 60.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.1 t0 -82.06 -49.96 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -37.79 -48.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.725 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -100.23 -27.19 13.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 88.54 17.97 55.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.881 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.6 mt -96.66 148.81 34.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.881 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.04 149.88 37.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -67.54 -30.97 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.424 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -127.87 47.6 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.78 ' NE2' HE21 ' A' ' 31' ' ' GLN . 3.6 mt-30 -125.78 144.98 50.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -160.23 101.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.874 ' CD1' HG12 ' A' ' 26' ' ' VAL . 9.5 mt -81.7 127.26 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.3 mt -126.48 143.72 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 10.7 t80 -121.38 143.55 49.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.05 43.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.49 44.04 45.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.06 144.55 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.31 135.4 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -107.44 154.58 21.13 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 17.1 mt-10 -123.78 150.42 44.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' HG21 ' A' ' 22' ' ' THR . 75.3 m-20 -78.27 -3.19 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.69 -21.4 14.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.4 mmt180 -79.5 -170.49 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -147.91 159.89 43.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 110.44 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -61.37 -52.71 63.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 31.1 p -59.68 -20.83 58.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -19.89 23.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.5 m-85 -97.63 -1.96 42.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.1 m-80 78.71 7.42 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.614 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 51.4 mt -63.71 137.34 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -130.24 -158.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 149.11 27.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 3.7 mt-10 69.13 10.9 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 m -76.8 128.68 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 4' ' ' PHE . 26.5 m -99.57 132.04 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -100.32 -170.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ILE . 11.6 m-70 -133.01 119.86 20.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.542 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.864 HD22 HG21 ' A' ' 30' ' ' ILE . 20.3 tp -107.41 108.66 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.466 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 64' ' ' GLU . 2.5 mt-30 -115.19 113.72 24.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.466 ' CG1' ' HB2' ' A' ' 15' ' ' LEU . 10.7 pt -105.72 159.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.641 ' CE1' HG23 ' A' ' 14' ' ' THR . 27.7 m-85 -122.84 -177.37 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.56 144.52 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.5 mttt -118.04 125.21 49.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 69' ' ' LEU . 70.0 p -80.07 -154.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -77.54 -38.09 49.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 10' ' ' GLY . 6.2 t -77.28 -55.41 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.377 1.048 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' N ' HG23 ' A' ' 9' ' ' THR . . . 138.17 43.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 110.99 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -81.19 105.78 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.05 120.6 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.641 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.2 m -79.19 142.2 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 14' ' ' THR . 1.5 mm? -123.92 164.14 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.01 61.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.223 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.881 HG11 HG22 ' A' ' 26' ' ' VAL . 17.6 m -99.46 -175.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.381 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -122.95 172.64 5.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -75.03 -18.2 18.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -94.14 -13.34 26.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.715 ' O ' HG22 ' A' ' 55' ' ' THR . 1.1 m-20 -64.56 -175.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.218 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 54' ' ' ARG . 93.8 m -127.5 171.4 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 50' ' ' LEU . 26.0 mm -68.66 -47.95 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -58.18 -19.32 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -33.14 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.881 HG22 HG11 ' A' ' 17' ' ' VAL . 91.1 t -73.05 -57.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -50.19 -45.21 53.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.13 -33.83 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 16.4 mtpt -78.09 -33.51 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.599 HG21 HD22 ' A' ' 69' ' ' LEU . 14.0 mm -68.71 -23.46 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.528 HE21 ' NE2' ' A' ' 41' ' ' GLN . 2.3 mp0 -63.02 -48.09 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.4 t0 -89.21 -50.84 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -37.26 -41.33 0.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -105.99 -48.26 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 108.32 26.36 5.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.893 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.5 mp -112.5 147.07 36.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.893 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 153.0 41.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 1.59 7.57 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -24.94 63.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.503 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.5 mt-30 -117.46 -25.4 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.1 mm-40 -55.56 146.42 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.562 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.9 ttm180 -160.21 96.32 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 27' ' ' LYS . 3.4 tp -79.28 127.74 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -136.06 119.85 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 13.0 t80 -97.67 139.05 34.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.8 40.36 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.27 37.01 71.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -126.04 142.15 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.81 131.47 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.566 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -95.62 -175.33 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -160.23 146.34 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 2.9 p30 -74.77 -4.97 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.26 -25.18 12.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -79.68 -170.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -153.06 158.19 41.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.1 mt -57.57 -53.44 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -60.87 -17.78 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.9 -26.16 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -97.03 13.29 29.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 20.3 t30 63.13 13.54 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 44.2 mt -63.9 128.05 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 2.6 mm-40 -126.5 152.87 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -39.88 140.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLN . 5.1 mt-10 76.4 36.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -102.41 121.99 43.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.521 HG23 ' HB2' ' A' ' 4' ' ' PHE . 25.8 m -93.34 122.28 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -90.12 -175.44 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -130.55 109.43 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.644 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD22 HG21 ' A' ' 30' ' ' ILE . 5.1 tp -91.44 117.05 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 42' ' ' ARG . 16.3 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.447 0.165 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -146.01 108.8 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.426 HG12 HG22 ' A' ' 17' ' ' VAL . 1.1 pt -109.04 177.97 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.524 ' HB2' HG23 ' A' ' 66' ' ' THR . 63.4 m-85 -133.09 179.11 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.082 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.733 HG23 HD23 ' A' ' 15' ' ' LEU . 70.4 t -146.34 135.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -103.48 120.29 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.046 HG22 HD23 ' A' ' 69' ' ' LEU . 30.5 p -95.28 158.3 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -54.93 -28.32 50.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.63 1.206 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -79.64 -1.09 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.72 39.14 49.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.31 145.52 29.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 13' ' ' ILE . 3.8 mp -112.67 123.73 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.536 ' C ' HD22 ' A' ' 15' ' ' LEU . 24.6 m -81.07 146.53 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.733 HD23 HG23 ' A' ' 5' ' ' VAL . 2.8 mm? -132.33 149.21 52.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.75 62.04 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.828 HG11 HG22 ' A' ' 26' ' ' VAL . 19.3 m -101.09 143.1 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.643 ' O ' HD12 ' A' ' 56' ' ' LEU . 18.6 mm-40 -78.18 160.52 73.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.81 14.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -104.94 -14.8 15.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -65.28 -166.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 54' ' ' ARG . 91.4 m -127.45 171.78 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' A' ' 50' ' ' LEU . 18.5 mm -69.77 -40.95 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.219 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -61.85 -24.77 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.215 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 22' ' ' THR . 1.6 m120 -81.57 -27.43 34.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.828 HG22 HG11 ' A' ' 17' ' ' VAL . 73.8 t -77.95 -49.12 22.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.817 ' HG3' HD12 ' A' ' 43' ' ' LEU . 20.8 mtpt -56.74 -47.61 79.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.92 -34.25 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.6 mttm -72.8 -35.04 67.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' LYS . 16.3 mm -66.9 -25.46 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 83.5 mm-40 -62.18 -63.25 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.8 t0 -68.71 -49.45 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmpt? -35.68 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.404 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.91 -50.04 11.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 112.07 40.94 1.12 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.865 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.8 mt -123.01 145.62 46.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.622 0.836 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.865 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.06 161.39 38.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.0 Cg_endo -75.03 1.6 7.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -13.0 59.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.486 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.2 mt-30 -139.21 25.95 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 4.6 mt-30 -122.63 143.66 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -160.06 103.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' A' ' 27' ' ' LYS . 9.5 mt -79.74 135.17 36.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.354 1.033 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -139.8 139.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.655 ' HB2' HD21 ' A' ' 50' ' ' LEU . 10.7 t80 -119.54 140.13 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.3 48.7 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.46 44.24 11.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -130.74 132.03 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.35 120.6 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -90.67 158.61 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.45 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 28.3 mt-10 -129.46 148.45 51.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 1.8 p30 -75.85 -3.46 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.32 -19.56 16.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -80.92 -165.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.65 165.19 32.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -70.24 -50.7 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.616 1.197 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -61.52 -16.62 49.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.455 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 1.2 m-20 -90.52 -38.2 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.506 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.5 m-85 -79.8 1.51 26.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.8 m-80 79.35 5.86 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 56' ' ' LEU . 51.4 mt -59.01 136.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 22.7 pt20 -133.17 -157.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -81.66 142.38 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.33 14.97 7.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 4.0 m -80.44 105.3 11.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.539 ' C ' HD22 ' A' ' 67' ' ' LEU . 77.9 m -79.08 139.58 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -103.84 -172.98 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.9 m-70 -132.02 109.71 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.046 HD23 HG22 ' A' ' 7' ' ' THR . 18.2 tp -93.83 104.78 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -147.13 101.9 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.643 HD11 ' CG2' ' A' ' 17' ' ' VAL . 9.4 pt -90.98 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.684 ' CE1' HG23 ' A' ' 14' ' ' THR . 62.4 m-85 -135.91 172.77 12.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.696 HG23 HD23 ' A' ' 15' ' ' LEU . 71.2 t -137.46 138.57 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -111.09 111.61 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.905 HG22 HD23 ' A' ' 69' ' ' LEU . 14.7 p -85.16 176.48 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.3 mm? -57.78 -35.79 71.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 11' ' ' LYS . 1.2 t -80.45 -12.58 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.54 -9.74 66.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -40.46 130.97 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.268 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -99.7 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' HE3' ' A' ' 33' ' ' LYS . 5.4 mp -109.89 118.83 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.684 HG23 ' CE1' ' A' ' 4' ' ' PHE . 9.0 m -80.03 140.84 36.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD23 HG23 ' A' ' 5' ' ' VAL . 2.9 mm? -134.26 135.53 42.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -107.51 74.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.643 ' CG2' HD11 ' A' ' 3' ' ' ILE . 3.3 m -109.66 145.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.5 pt-20 -77.8 158.7 77.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -74.99 -7.59 19.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -100.39 -6.95 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.726 ' O ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -74.09 -169.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 26' ' ' VAL . 91.5 m -125.14 169.97 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 23' ' ' ILE . 5.6 mm -65.76 -49.67 75.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -55.42 -23.27 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -28.21 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.741 HG12 ' CD1' ' A' ' 43' ' ' LEU . 68.9 t -78.52 -46.54 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.887 ' HG3' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -61.47 -46.52 89.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.13 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 5.4 mtpm? -76.24 -31.24 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.501 HD11 ' HG ' ' A' ' 15' ' ' LEU . 15.4 mm -71.89 -18.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.6 mm-40 -70.15 -66.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -40.48 97.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 11.5 mmmt -42.87 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -85.33 -57.46 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.95 50.28 0.22 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.843 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -130.49 145.77 58.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 158.78 41.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.99 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.23 -21.71 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.459 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.2 mt-30 -119.53 -28.99 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 5.7 mt-30 -69.06 146.07 52.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -160.47 102.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.887 HD12 ' HG3' ' A' ' 27' ' ' LYS . 10.7 mt -79.67 133.7 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.1 mt -135.35 139.77 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.636 ' HB2' HD21 ' A' ' 50' ' ' LEU . 16.2 t80 -125.99 137.14 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.97 49.96 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.95 43.72 5.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 141.31 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 137.85 58.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -112.29 135.29 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.02 164.34 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -83.29 -0.65 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.8 -18.92 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.555 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 13.8 mmt180 -91.82 -170.88 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -147.68 162.55 38.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 18' ' ' GLU . 2.4 mt -62.0 -51.62 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 t -62.46 -19.88 63.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.058 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -25.44 20.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.7 m-85 -91.67 0.27 57.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.2 m-20 80.34 4.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.586 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 56.7 mt -61.36 135.63 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.28 -160.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 8.1 mt-10 74.42 3.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.224 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -70.5 108.36 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.504 ' C ' HD22 ' A' ' 67' ' ' LEU . 95.6 m -79.37 138.96 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -102.86 -174.9 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.9 m-70 -130.59 117.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.905 HD23 HG22 ' A' ' 7' ' ' THR . 6.6 tp -99.7 118.75 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.492 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 12.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.442 0.163 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -113.42 140.93 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.626 HG12 HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -134.32 179.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.781 ' CE1' HG23 ' A' ' 14' ' ' THR . 39.7 m-85 -140.88 -173.18 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -161.18 147.22 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.92 121.82 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.111 HG22 HD23 ' A' ' 69' ' ' LEU . 45.5 p -97.89 163.3 12.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.21 -28.77 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.7 t -83.13 7.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.19 52.01 55.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.595 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.38 126.94 55.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 m -92.64 106.21 18.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.2 mp -104.08 125.22 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.781 HG23 ' CE1' ' A' ' 4' ' ' PHE . 4.1 m -79.04 148.07 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt -142.6 135.94 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.42 80.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.029 HG11 HG22 ' A' ' 26' ' ' VAL . 13.3 m -104.04 -176.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.778 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -121.05 167.59 12.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 18' ' ' GLU . 18.1 Cg_endo -74.97 -18.34 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -93.15 -14.98 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.574 ' O ' HG22 ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.1 -173.52 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 52' ' ' ASP . 81.9 m -131.58 172.68 11.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.657 HD12 HD23 ' A' ' 50' ' ' LEU . 40.8 mm -71.31 -50.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 9.2 pt-20 -52.77 -24.7 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -80.02 -41.8 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.029 HG22 HG11 ' A' ' 17' ' ' VAL . 71.6 t -63.84 -49.52 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.611 ' HD2' HG22 ' A' ' 23' ' ' ILE . 13.2 mtpt -55.51 -48.01 75.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.41 -27.15 5.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.91 -29.93 44.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 15' ' ' LEU . 11.7 mm -73.86 -25.03 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 80.7 mm-40 -61.55 -44.91 96.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.2 t0 -90.05 -53.29 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 1.4 mmpt? -36.37 -52.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.59 -46.59 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 105.28 21.49 8.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.902 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -103.7 146.67 32.95 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 0.741 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.902 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.03 162.01 37.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.18 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -129.62 46.68 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 3.3 mm-40 -130.53 139.95 50.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB3' HG23 ' A' ' 70' ' ' VAL . 12.9 ttp85 -159.79 111.71 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD22 ' HG3' ' A' ' 27' ' ' LYS . 4.6 tp -81.59 135.02 35.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mt -141.52 123.54 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 61' ' ' ILE . 17.6 t80 -110.82 136.39 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.86 59.86 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 37.67 43.69 1.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 147.51 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.68 144.6 47.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -105.52 -177.29 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -154.19 147.73 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' O ' HG21 ' A' ' 22' ' ' THR . 3.3 p-10 -75.18 -14.04 60.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.56 -19.52 37.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.6 mmt180 -79.67 -170.65 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -152.34 161.16 43.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.2 mt -62.96 -52.44 63.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 t -61.6 -17.01 53.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.75 -26.26 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.3 m-85 -95.02 1.75 55.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 7.4 m-80 76.03 7.05 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 ' CE2' ' A' ' 45' ' ' PHE . 49.9 mt -57.89 136.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.33 -152.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -83.43 152.36 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 57.2 38.11 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 m -99.75 103.0 14.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 4' ' ' PHE . 42.7 m -78.77 127.76 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -91.27 -173.89 3.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ILE . 15.0 m-70 -132.99 109.68 9.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.111 HD23 HG22 ' A' ' 7' ' ' THR . 4.4 tp -93.16 117.43 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 42' ' ' ARG . 17.4 m . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -140.23 106.69 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.567 HD13 ' CG2' ' A' ' 17' ' ' VAL . 8.3 pt -102.41 170.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.882 ' CE1' HG23 ' A' ' 14' ' ' THR . 49.7 m-85 -134.04 -172.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 p -160.85 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.47 118.37 29.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.38 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.701 ' OG1' HG22 ' A' ' 9' ' ' THR . 1.4 p -88.13 -167.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.2 mt -80.18 -27.33 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.701 HG22 ' OG1' ' A' ' 7' ' ' THR . 1.1 t -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.79 3.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 122.89 44.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 109.229 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -87.86 105.75 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.7 mp -101.63 123.26 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.882 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.0 m -78.88 148.18 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt -141.96 145.45 34.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.12 77.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.567 ' CG2' HD13 ' A' ' 3' ' ' ILE . 15.0 m -119.15 135.11 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.904 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -72.94 173.7 5.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.0 Cg_endo -74.93 -17.02 20.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -89.25 -20.32 24.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.964 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.35 176.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' ARG . 63.5 m -122.04 167.45 13.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.509 HD12 HD23 ' A' ' 50' ' ' LEU . 18.3 mm -66.92 -52.09 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.96 -22.57 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -40.1 25.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.616 HG11 HD21 ' A' ' 43' ' ' LEU . 96.0 t -64.64 -56.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -50.48 -46.87 57.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.69 -33.08 6.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.2 mttp -78.74 -33.73 46.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.513 HD11 ' CD1' ' A' ' 15' ' ' LEU . 15.4 mm -68.27 -23.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.475 HE21 ' NE2' ' A' ' 41' ' ' GLN . 3.9 mp0 -66.62 -49.56 65.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LYS . 5.2 t0 -84.17 -49.19 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 2.7 mmpt? -37.75 -63.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.18 31.28 1.74 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.908 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.1 mp -117.05 148.53 42.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.908 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.04 151.49 39.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.536 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.92 1.43 7.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -24.44 63.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.5 mt-30 -119.04 -25.67 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.4 mm-40 -54.65 149.37 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -160.41 100.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.693 ' HG ' HD12 ' A' ' 67' ' ' LEU . 6.5 tp -79.48 131.48 36.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.85 119.94 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 14.3 t80 -100.33 139.49 35.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.2 46.64 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.94 38.21 30.6 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' PHE . 3.1 ttmm -129.19 140.27 51.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 0.829 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 142.28 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.57 -176.83 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 4.8 mt-10 -158.08 146.86 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' O ' ' CG2' ' A' ' 22' ' ' THR . 13.5 p-10 -75.06 -23.8 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.69 -13.99 74.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -86.23 -166.61 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -154.14 165.54 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -69.16 -53.09 21.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t -57.16 -21.74 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 12.9 m-20 -89.29 -33.38 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m-85 -83.65 9.15 12.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 18.5 t30 65.42 14.18 9.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 56' ' ' LEU . 29.9 mt -62.51 131.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' LYS . 3.0 mt-30 -125.18 149.85 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -39.1 146.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 72.13 22.68 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -84.6 126.36 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 4' ' ' PHE . 37.1 m -99.63 123.26 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -87.92 -177.83 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -132.32 111.52 11.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 30' ' ' ILE . 15.8 tp -92.79 118.04 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.57 HG23 ' HB3' ' A' ' 42' ' ' ARG . 16.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 49.1 mt-30 -126.83 94.79 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.542 HG12 HG22 ' A' ' 17' ' ' VAL . 1.2 pt -82.71 -175.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.373 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 14' ' ' THR . 46.4 m-85 -144.95 -171.37 3.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.446 ' CG2' HD11 ' A' ' 15' ' ' LEU . 52.4 t -150.43 138.5 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.31 114.53 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.389 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.999 HG22 HD23 ' A' ' 69' ' ' LEU . 18.2 p -93.31 170.45 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 3.5 mm? -53.84 -36.75 62.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.744 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.2 t -79.85 0.1 32.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 83.46 -10.87 57.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -39.66 137.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -110.96 100.29 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 3.0 mp -94.08 116.77 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.799 HG23 ' CE1' ' A' ' 4' ' ' PHE . 21.4 m -79.44 149.49 31.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 30' ' ' ILE . 5.4 mt -143.0 161.81 37.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -131.52 63.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.995 HG11 HG22 ' A' ' 26' ' ' VAL . 4.2 m -87.59 -172.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.75 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -130.39 171.17 9.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.09 9.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.4 m -84.26 -13.6 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.561 ' O ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -65.96 -172.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ARG . 77.6 m -133.07 168.24 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 50' ' ' LEU . 15.4 mm -67.39 -50.89 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -54.45 -21.96 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.84 -37.12 27.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.995 HG22 HG11 ' A' ' 17' ' ' VAL . 70.5 t -69.74 -50.1 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HG3' HD22 ' A' ' 43' ' ' LEU . 2.3 mtpm? -57.22 -45.97 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.39 -28.91 8.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 57.3 mttp -78.16 -29.15 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.588 HD11 HD11 ' A' ' 15' ' ' LEU . 9.9 mm -76.2 -29.54 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 86.9 mm-40 -56.89 -46.09 82.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.82 -53.3 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 17.5 mmmt -40.81 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.623 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -97.35 -57.72 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 112.04 33.07 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.89 HG23 ' HD2' ' A' ' 37' ' ' PRO . 2.3 mp -122.58 147.08 49.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.89 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 162.36 37.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.99 1.38 7.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.441 1.759 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.74 -21.07 57.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.495 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.7 mt-30 -121.05 -24.55 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 5.9 mt-30 -73.33 146.13 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -160.3 105.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' ' 27' ' ' LYS . 4.6 tp -79.65 133.38 36.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -142.18 127.24 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 61' ' ' ILE . 11.1 t80 -112.0 136.73 50.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.38 52.87 5.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.17 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -123.21 135.99 54.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 0.811 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 139.6 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -107.68 146.13 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 1.2 mt-10 -121.77 151.5 40.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.5 ' O ' HG21 ' A' ' 22' ' ' THR . 5.8 p-10 -76.48 -18.19 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 -16.87 59.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -83.14 -168.5 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -153.23 160.71 42.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.355 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -64.78 -53.52 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -54.27 -24.28 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -88.51 -33.34 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.2 m-85 -82.7 8.31 12.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 19.6 t30 63.28 15.45 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.559 HG12 ' CE2' ' A' ' 45' ' ' PHE . 31.2 mt -64.01 133.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.0 mm100 -119.14 -173.28 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 149.15 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 65.82 10.84 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 43.0 m -75.92 107.1 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 4' ' ' PHE . 96.3 m -79.24 137.86 37.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.38 -171.4 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.8 m-70 -131.93 110.71 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.999 HD23 HG22 ' A' ' 7' ' ' THR . 22.0 tp -96.27 104.94 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 22.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.713 ' HE1' HG23 ' A' ' 17' ' ' VAL . 10.3 ptm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.455 0.169 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -120.3 106.84 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 65' ' ' SER . 2.3 pp -98.7 168.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.896 ' CE1' HG23 ' A' ' 14' ' ' THR . 37.4 m-85 -131.18 -169.3 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -160.73 144.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -112.78 113.01 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.8 HG22 HD23 ' A' ' 69' ' ' LEU . 10.1 p -80.8 178.79 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.59 -33.64 70.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -80.21 -15.5 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 99.41 -27.36 20.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -35.23 128.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.44 123.19 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 2.4 mp -112.3 126.13 69.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.896 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.1 m -81.54 145.66 30.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 14' ' ' THR . 1.9 mm? -127.09 169.5 13.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.82 55.83 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.891 HG11 HG22 ' A' ' 26' ' ' VAL . 12.5 m -91.69 -171.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.835 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -128.85 165.09 34.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -75.06 -17.6 19.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 m -95.6 -8.58 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.747 ' O ' HG22 ' A' ' 55' ' ' THR . 0.7 OUTLIER -74.06 -174.34 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 52' ' ' ASP . 87.1 m -117.49 171.59 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 23' ' ' ILE . 3.0 mm -70.01 -50.4 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.91 -19.39 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -80.47 -24.56 39.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 HG11 ' A' ' 17' ' ' VAL . 94.4 t -82.09 -50.81 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.37 -42.69 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.59 22.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.4 mttm -76.84 -32.83 57.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 15' ' ' LEU . 6.7 mm -74.2 -26.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 4.3 mp0 -59.1 -49.13 79.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -84.35 -53.78 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 10.3 mmmt -36.39 -62.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.478 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -80.39 -54.94 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.96 2.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.868 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -117.3 146.17 37.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.868 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.03 156.51 42.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.9 1.81 7.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.419 1.747 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.2 -19.07 58.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.521 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.8 mt-30 -121.49 -28.13 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 6.2 mt-30 -64.58 149.19 49.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -160.32 103.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.551 ' HG ' HD12 ' A' ' 67' ' ' LEU . 5.7 tp -79.05 124.84 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mm -128.63 119.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.642 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 7.6 t80 -108.88 138.99 44.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 39.61 47.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.23 63.87 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.7 ptpp? -157.43 128.88 6.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.18 138.38 16.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -107.75 172.12 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -167.82 155.94 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -72.05 -41.16 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.59 -27.21 1.98 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -96.9 -171.34 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -144.97 158.68 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 18' ' ' GLU . 3.0 mt -54.61 -57.17 12.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -58.77 -16.22 15.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.453 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 1.1 t70 -90.51 -38.0 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.47 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 3.0 m-85 -81.72 5.74 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 80.02 -0.19 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 63.8 mt -57.33 140.82 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.35 -167.21 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 136.04 46.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 70.84 43.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.1 m -108.67 104.47 13.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 4' ' ' PHE . 57.1 m -78.88 124.09 27.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -88.22 -179.17 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ILE . 12.2 m170 -123.67 101.66 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.8 HD23 HG22 ' A' ' 7' ' ' THR . 12.5 tp -87.85 111.44 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.474 ' HE3' ' CD ' ' A' ' 19' ' ' PRO . 8.8 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.458 0.17 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 11.7 pt20 -118.78 94.97 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 62' ' ' GLN . 8.5 pt -94.31 161.14 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 67' ' ' LEU . 24.7 m-85 -123.29 178.73 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.2 p -157.46 144.11 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -107.58 119.26 38.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 7.4 p -92.13 -176.64 4.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 2.0 mm? -53.33 -41.22 65.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.513 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -79.21 -18.68 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 96.48 -18.81 56.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.529 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -36.77 119.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -80.04 112.84 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 11' ' ' LYS . 2.5 mp -104.04 122.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.506 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.4 m -79.84 143.07 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ILE . 2.0 mm? -129.18 130.77 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.369 1.043 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.81 69.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.853 HG11 HG22 ' A' ' 26' ' ' VAL . 4.6 m -104.29 -172.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.5 pt-20 -122.58 160.08 50.12 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.474 ' CD ' ' HE3' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.0 0.29 9.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -112.59 -3.7 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.608 1.193 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 55' ' ' THR . 2.8 m-20 -78.79 -170.73 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' ARG . 87.2 m -123.55 169.54 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 50' ' ' LEU . 15.9 mm -68.89 -48.4 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -55.04 -23.2 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.76 -32.66 41.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.853 HG22 HG11 ' A' ' 17' ' ' VAL . 74.0 t -73.01 -54.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -52.86 -45.02 67.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.09 -32.7 16.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mttt -77.02 -30.34 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.636 HG21 HD22 ' A' ' 69' ' ' LEU . 19.3 mm -71.43 -25.46 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.8 HE21 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -60.45 -49.98 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -83.7 -53.86 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -36.13 -50.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -39.04 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.226 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 97.55 22.09 17.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.833 HG23 ' HD2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -105.72 150.13 38.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.833 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.99 149.39 36.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.97 0.98 8.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -30.05 69.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.434 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -127.39 40.12 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.8 ' NE2' HE21 ' A' ' 31' ' ' GLN . 3.6 mt-30 -114.59 144.79 42.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -159.61 107.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 27' ' ' LYS . 5.7 tp -79.72 128.89 33.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -130.4 119.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.751 ' HB2' HD23 ' A' ' 67' ' ' LEU . 4.3 t80 -107.09 140.14 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 38.78 52.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.99 50.7 11.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.77 150.96 44.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.48 134.04 37.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -102.55 163.0 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 6.3 mt-10 -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' HG21 ' A' ' 22' ' ' THR . 7.8 p-10 -77.7 -10.03 59.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.34 -21.25 32.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.581 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -81.52 -168.87 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 0.772 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -145.83 163.22 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -64.75 -55.82 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 11.9 t -58.49 -17.57 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.54 -36.06 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -85.2 12.16 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.1 t30 70.63 6.78 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.594 HG12 ' CE2' ' A' ' 45' ' ' PHE . 88.5 mt -65.71 134.72 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.651 ' O ' HG22 ' A' ' 3' ' ' ILE . 21.2 pt20 -143.83 -158.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 135.18 40.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.0 mt-10 73.32 38.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 m -99.48 105.73 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.543 HG23 ' HB2' ' A' ' 4' ' ' PHE . 14.0 m -85.12 116.0 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.751 HD23 ' HB2' ' A' ' 45' ' ' PHE . 3.8 mp -98.92 -165.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' ILE . 10.5 m-70 -133.07 134.97 45.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD22 HG21 ' A' ' 30' ' ' ILE . 5.4 tp -114.93 104.16 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 6.4 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.449 0.166 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' GLU . 40.0 mt-30 -136.33 160.22 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CG1' ' HB2' ' A' ' 15' ' ' LEU . 5.5 pt -150.6 173.03 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.875 ' CE1' HG23 ' A' ' 14' ' ' THR . 54.9 m-85 -137.0 -172.6 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.17 154.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -121.72 112.59 18.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.641 HG22 HD23 ' A' ' 69' ' ' LEU . 67.4 p -85.54 -169.21 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.1 mm? -63.87 -38.76 92.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.648 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -79.45 -10.32 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 89.95 -17.72 51.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.648 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -36.33 120.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.238 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -90.27 106.58 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.4 mp -99.52 125.44 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.875 HG23 ' CE1' ' A' ' 4' ' ' PHE . 11.1 m -80.71 152.78 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 30' ' ' ILE . 7.1 mt -142.52 152.21 42.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.89 73.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 26' ' ' VAL . 14.2 m -109.84 164.62 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.925 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -99.33 165.85 14.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -13.21 21.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -97.22 -15.18 20.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -59.75 -172.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.9 m -126.68 167.27 15.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 23' ' ' ILE . 8.9 mm -66.46 -47.66 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.85 -21.85 22.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -34.24 31.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG11 HD21 ' A' ' 43' ' ' LEU . 98.0 t -70.94 -56.93 9.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HG3' HD22 ' A' ' 43' ' ' LEU . 3.5 mtpt -51.27 -44.77 61.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.206 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.1 -31.7 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 13.9 mttt -79.27 -29.44 42.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.725 HG21 HD22 ' A' ' 69' ' ' LEU . 13.9 mm -73.41 -20.3 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.594 HE21 ' NE2' ' A' ' 41' ' ' GLN . 1.4 mp0 -66.77 -47.2 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -87.43 -50.13 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -36.72 -57.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -89.2 -55.37 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.3 32.38 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.879 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.1 mp -119.12 148.52 45.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.879 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.04 154.02 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.543 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.97 1.64 7.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -25.38 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.506 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.4 mt-30 -118.19 -25.86 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.594 ' NE2' HE21 ' A' ' 31' ' ' GLN . 5.6 mm-40 -53.14 148.12 8.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -160.6 101.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 HD21 HG11 ' A' ' 26' ' ' VAL . 5.6 tp -79.4 127.07 31.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.81 124.45 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 61' ' ' ILE . 16.7 t80 -114.53 137.15 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 40.48 48.59 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.03 49.11 18.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -140.44 138.59 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.61 139.29 58.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -111.01 157.81 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -147.04 161.72 40.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 53' ' ' GLY . 39.7 p30 -78.94 -14.4 59.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -80.6 -10.84 84.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.604 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.44 -168.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -150.91 164.2 36.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 18' ' ' GLU . 2.1 mt -64.52 -51.82 60.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 30.2 t -61.61 -19.5 62.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 3.1 m-20 -90.27 -33.54 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -86.19 12.32 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 23.6 t30 68.02 10.86 8.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -68.49 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -131.55 -152.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 145.26 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 2' ' ' GLN . 8.6 mt-10 65.3 18.31 11.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 14.3 m -76.11 103.96 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 4' ' ' PHE . 16.1 m -79.38 126.03 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -93.83 -171.65 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -137.52 111.08 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 30' ' ' ILE . 4.2 tp -94.3 118.28 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.562 ' N ' HD12 ' A' ' 69' ' ' LEU . 9.7 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 ptp . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.539 0.209 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -121.2 97.55 5.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 15' ' ' LEU . 2.3 pp -90.18 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' CE1' HG23 ' A' ' 14' ' ' THR . 54.6 m-85 -128.12 175.61 8.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.747 HG23 HD23 ' A' ' 15' ' ' LEU . 67.5 t -143.79 137.34 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -111.33 108.99 18.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.553 HG22 HD23 ' A' ' 69' ' ' LEU . 11.8 p -80.29 -171.3 2.93 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.84 -33.79 76.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -79.68 -5.98 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.336 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 88.27 -21.31 25.38 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -37.18 136.29 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -103.88 115.39 30.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 13' ' ' ILE . 4.1 mp -107.03 125.56 63.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.615 HG23 ' CE1' ' A' ' 4' ' ' PHE . 3.0 m -80.11 144.98 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.747 HD23 HG23 ' A' ' 5' ' ' VAL . 2.6 mm? -130.94 159.63 36.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.03 61.74 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.887 HG11 HG22 ' A' ' 26' ' ' VAL . 3.3 m -92.0 -172.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.698 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.1 pt-20 -127.72 160.68 59.63 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.03 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -109.4 -6.36 15.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.717 ' O ' HG22 ' A' ' 55' ' ' THR . 2.3 m-20 -77.28 -170.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 54' ' ' ARG . 89.3 m -124.53 168.32 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.511 1.132 . . . . 0.0 110.451 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' ILE . 12.5 mm -65.5 -50.27 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -54.1 -24.03 16.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.68 -31.13 41.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.887 HG22 HG11 ' A' ' 17' ' ' VAL . 75.2 t -72.8 -52.49 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.232 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HG3' HD12 ' A' ' 43' ' ' LEU . 32.9 mtpt -54.46 -44.21 72.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.58 -31.97 17.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 20.1 mttt -77.31 -31.77 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.864 HG21 HD22 ' A' ' 69' ' ' LEU . 12.1 mm -72.0 -21.39 20.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.78 HE21 ' NE2' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -66.32 -51.16 60.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.1 t0 -82.06 -49.96 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -37.79 -48.64 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.725 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -100.23 -27.19 13.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.216 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.506 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 88.54 17.97 55.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.881 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.6 mt -96.66 148.81 34.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.881 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.04 149.88 37.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.95 0.67 8.6 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -67.54 -30.97 70.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -127.87 47.6 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.78 ' NE2' HE21 ' A' ' 31' ' ' GLN . 3.6 mt-30 -125.78 144.98 50.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -160.23 101.79 1.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.874 ' CD1' HG12 ' A' ' 26' ' ' VAL . 9.5 mt -81.7 127.26 32.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.3 mt -126.48 143.72 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 10.7 t80 -121.38 143.55 49.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 41.05 43.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.49 44.04 45.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.563 1.164 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.06 144.55 48.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.31 135.4 56.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -107.44 154.58 21.13 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 17.1 mt-10 -123.78 150.42 44.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' HG21 ' A' ' 22' ' ' THR . 75.3 m-20 -78.27 -3.19 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.69 -21.4 14.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.579 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.4 mmt180 -79.5 -170.49 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.324 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -147.91 159.89 43.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 110.44 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -61.37 -52.71 63.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 31.1 p -59.68 -20.83 58.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.055 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.35 -19.89 23.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.5 m-85 -97.63 -1.96 42.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.1 m-80 78.71 7.42 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.614 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 51.4 mt -63.71 137.34 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -130.24 -158.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.87 149.11 27.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 3.7 mt-10 69.13 10.9 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 7.0 m -76.8 128.68 35.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.567 HG23 ' HB2' ' A' ' 4' ' ' PHE . 26.5 m -99.57 132.04 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -100.32 -170.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' ILE . 11.6 m-70 -133.01 119.86 20.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.542 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.864 HD22 HG21 ' A' ' 30' ' ' ILE . 20.3 tp -107.41 108.66 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.9 m -120.17 -175.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 71' ' ' LEU . 5.9 tp -94.86 178.37 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -135.29 -172.54 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -59.52 170.04 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.579 ' N ' HD12 ' A' ' 73' ' ' LEU . 4.7 ptp180 -63.76 -174.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.93 -62.48 0.56 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.431 1.082 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 64' ' ' GLU . 2.5 mt-30 -115.19 113.72 24.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.466 ' CG1' ' HB2' ' A' ' 15' ' ' LEU . 10.7 pt -105.72 159.11 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' CE1' HG23 ' A' ' 14' ' ' THR . 27.7 m-85 -122.84 -177.37 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 p -160.56 144.52 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 2.5 mttt -118.04 125.21 49.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 69' ' ' LEU . 70.0 p -80.07 -154.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -77.54 -38.09 49.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.533 HG23 ' N ' ' A' ' 10' ' ' GLY . 6.2 t -77.28 -55.41 5.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.377 1.048 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' N ' HG23 ' A' ' 9' ' ' THR . . . 138.17 43.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 110.99 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -81.19 105.78 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.374 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -102.05 120.6 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.641 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.2 m -79.19 142.2 36.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.379 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 14' ' ' THR . 1.5 mm? -123.92 164.14 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.01 61.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.223 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.881 HG11 HG22 ' A' ' 26' ' ' VAL . 17.6 m -99.46 -175.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.381 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.797 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -122.95 172.64 5.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -75.03 -18.2 18.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 m -94.14 -13.34 26.85 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.715 ' O ' HG22 ' A' ' 55' ' ' THR . 1.1 m-20 -64.56 -175.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 109.218 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 54' ' ' ARG . 93.8 m -127.5 171.4 11.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 50' ' ' LEU . 26.0 mm -68.66 -47.95 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -58.18 -19.32 32.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.59 -33.14 36.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.881 HG22 HG11 ' A' ' 17' ' ' VAL . 91.1 t -73.05 -57.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -50.19 -45.21 53.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.13 -33.83 12.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 16.4 mtpt -78.09 -33.51 50.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.599 HG21 HD22 ' A' ' 69' ' ' LEU . 14.0 mm -68.71 -23.46 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.528 HE21 ' NE2' ' A' ' 41' ' ' GLN . 2.3 mp0 -63.02 -48.09 80.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.4 t0 -89.21 -50.84 5.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -37.26 -41.33 0.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.6 OUTLIER -105.99 -48.26 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.612 1.195 . . . . 0.0 110.251 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 108.32 26.36 5.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.893 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.5 mp -112.5 147.07 36.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.893 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.0 153.0 41.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.2 Cg_endo -74.99 1.59 7.57 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -24.94 63.54 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.503 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.5 mt-30 -117.46 -25.4 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.537 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.1 mm-40 -55.56 146.42 20.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.562 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.9 ttm180 -160.21 96.32 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD22 ' HG3' ' A' ' 27' ' ' LYS . 3.4 tp -79.28 127.74 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -136.06 119.85 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 61' ' ' ILE . 13.0 t80 -97.67 139.05 34.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 44.8 40.36 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.27 37.01 71.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -126.04 142.15 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 0.734 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.81 131.47 46.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.566 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -95.62 -175.33 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -160.23 146.34 15.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 2.9 p30 -74.77 -4.97 40.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.26 -25.18 12.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -79.68 -170.5 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -153.06 158.19 41.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.1 mt -57.57 -53.44 58.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -60.87 -17.78 52.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 1.165 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.9 -26.16 18.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -97.03 13.29 29.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 20.3 t30 63.13 13.54 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.572 HG12 ' CE2' ' A' ' 45' ' ' PHE . 44.2 mt -63.9 128.05 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 2.6 mm-40 -126.5 152.87 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -39.88 140.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' GLN . 5.1 mt-10 76.4 36.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -102.41 121.99 43.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.521 HG23 ' HB2' ' A' ' 4' ' ' PHE . 25.8 m -93.34 122.28 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -90.12 -175.44 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -130.55 109.43 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.644 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD22 HG21 ' A' ' 30' ' ' ILE . 5.1 tp -91.44 117.05 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 42' ' ' ARG . 16.3 m -130.64 173.51 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -85.56 -174.24 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -142.91 175.31 9.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.594 HD12 ' H ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 36.69 -151.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.594 ' H ' HD12 ' A' ' 73' ' ' LEU . 26.8 ptt180 -119.28 162.7 18.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.244 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.71 -62.78 0.85 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.447 0.165 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -146.01 108.8 4.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.426 HG12 HG22 ' A' ' 17' ' ' VAL . 1.1 pt -109.04 177.97 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.524 ' HB2' HG23 ' A' ' 66' ' ' THR . 63.4 m-85 -133.09 179.11 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.082 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.733 HG23 HD23 ' A' ' 15' ' ' LEU . 70.4 t -146.34 135.66 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -103.48 120.29 40.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.046 HG22 HD23 ' A' ' 69' ' ' LEU . 30.5 p -95.28 158.3 15.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD12 HD23 ' A' ' 71' ' ' LEU . 95.9 mt -54.93 -28.32 50.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.63 1.206 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -79.64 -1.09 36.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.72 39.14 49.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -102.31 145.52 29.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.5 m -111.28 112.88 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 13' ' ' ILE . 3.8 mp -112.67 123.73 68.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.536 ' C ' HD22 ' A' ' 15' ' ' LEU . 24.6 m -81.07 146.53 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.733 HD23 HG23 ' A' ' 5' ' ' VAL . 2.8 mm? -132.33 149.21 52.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.75 62.04 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.828 HG11 HG22 ' A' ' 26' ' ' VAL . 19.3 m -101.09 143.1 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.643 ' O ' HD12 ' A' ' 56' ' ' LEU . 18.6 mm-40 -78.18 160.52 73.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.81 14.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -104.94 -14.8 15.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -65.28 -166.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 54' ' ' ARG . 91.4 m -127.45 171.78 11.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' A' ' 50' ' ' LEU . 18.5 mm -69.77 -40.95 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.219 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -61.85 -24.77 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.215 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 22' ' ' THR . 1.6 m120 -81.57 -27.43 34.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.828 HG22 HG11 ' A' ' 17' ' ' VAL . 73.8 t -77.95 -49.12 22.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.817 ' HG3' HD12 ' A' ' 43' ' ' LEU . 20.8 mtpt -56.74 -47.61 79.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.92 -34.25 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.6 mttm -72.8 -35.04 67.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' LYS . 16.3 mm -66.9 -25.46 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 83.5 mm-40 -62.18 -63.25 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.8 t0 -68.71 -49.45 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmpt? -35.68 -70.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.91 -50.04 11.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 112.07 40.94 1.12 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.865 HG23 ' HD2' ' A' ' 37' ' ' PRO . 5.8 mt -123.01 145.62 46.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.622 0.836 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.865 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.06 161.39 38.68 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.0 Cg_endo -75.03 1.6 7.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.22 -13.0 59.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.486 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.2 mt-30 -139.21 25.95 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 4.6 mt-30 -122.63 143.66 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -160.06 103.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' A' ' 27' ' ' LYS . 9.5 mt -79.74 135.17 36.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.354 1.033 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -139.8 139.45 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.655 ' HB2' HD21 ' A' ' 50' ' ' LEU . 10.7 t80 -119.54 140.13 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 42.3 48.7 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.46 44.24 11.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' O ' HD13 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -130.74 132.03 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.35 120.6 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.655 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -90.67 158.61 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.239 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 28.3 mt-10 -129.46 148.45 51.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 1.8 p30 -75.85 -3.46 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.32 -19.56 16.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -80.92 -165.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 0.729 . . . . 0.0 110.261 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -148.65 165.19 32.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -70.24 -50.7 37.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.616 1.197 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -61.52 -16.62 49.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.455 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 1.2 m-20 -90.52 -38.2 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.506 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.5 m-85 -79.8 1.51 26.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.8 m-80 79.35 5.86 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 56' ' ' LEU . 51.4 mt -59.01 136.82 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.587 1.179 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 22.7 pt20 -133.17 -157.84 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -81.66 142.38 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.33 14.97 7.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 4.0 m -80.44 105.3 11.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.539 ' C ' HD22 ' A' ' 67' ' ' LEU . 77.9 m -79.08 139.58 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -103.84 -172.98 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.9 m-70 -132.02 109.71 10.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.046 HD23 HG22 ' A' ' 7' ' ' THR . 18.2 tp -93.83 104.78 16.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m -110.7 -173.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD23 HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -92.15 -176.4 4.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.31 163.58 32.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.734 HD13 ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -55.64 170.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.654 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 64.74 176.67 0.19 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.37 67.81 0.59 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.475 0.179 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -147.13 101.9 3.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.643 HD11 ' CG2' ' A' ' 17' ' ' VAL . 9.4 pt -90.98 -178.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.684 ' CE1' HG23 ' A' ' 14' ' ' THR . 62.4 m-85 -135.91 172.77 12.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.696 HG23 HD23 ' A' ' 15' ' ' LEU . 71.2 t -137.46 138.57 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -111.09 111.61 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.905 HG22 HD23 ' A' ' 69' ' ' LEU . 14.7 p -85.16 176.48 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.3 mm? -57.78 -35.79 71.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 11' ' ' LYS . 1.2 t -80.45 -12.58 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.54 -9.74 66.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -40.46 130.97 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.268 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -99.7 111.8 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' HE3' ' A' ' 33' ' ' LYS . 5.4 mp -109.89 118.83 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.684 HG23 ' CE1' ' A' ' 4' ' ' PHE . 9.0 m -80.03 140.84 36.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD23 HG23 ' A' ' 5' ' ' VAL . 2.9 mm? -134.26 135.53 42.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -107.51 74.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.643 ' CG2' HD11 ' A' ' 3' ' ' ILE . 3.3 m -109.66 145.88 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HD12 ' A' ' 56' ' ' LEU . 7.5 pt-20 -77.8 158.7 77.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 18' ' ' GLU . 18.3 Cg_endo -74.99 -7.59 19.31 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -100.39 -6.95 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.726 ' O ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -74.09 -169.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 26' ' ' VAL . 91.5 m -125.14 169.97 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 23' ' ' ILE . 5.6 mm -65.76 -49.67 75.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -55.42 -23.27 24.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -28.21 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.741 HG12 ' CD1' ' A' ' 43' ' ' LEU . 68.9 t -78.52 -46.54 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.887 ' HG3' HD12 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -61.47 -46.52 89.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.13 7.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 5.4 mtpm? -76.24 -31.24 58.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.501 HD11 ' HG ' ' A' ' 15' ' ' LEU . 15.4 mm -71.89 -18.87 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 54.6 mm-40 -70.15 -66.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -40.48 97.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 11.5 mmmt -42.87 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -85.33 -57.46 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 122.95 50.28 0.22 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.843 HG23 ' HD2' ' A' ' 37' ' ' PRO . 3.6 mt -130.49 145.77 58.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.02 158.78 41.93 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.471 1.774 . . . . 0.0 111.031 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.99 0.37 8.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.23 -21.71 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.856 ' HB3' HD13 ' A' ' 71' ' ' LEU . 1.2 mt-30 -119.53 -28.99 5.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 5.7 mt-30 -69.06 146.07 52.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -160.47 102.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.887 HD12 ' HG3' ' A' ' 27' ' ' LYS . 10.7 mt -79.67 133.7 36.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.1 mt -135.35 139.77 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.636 ' HB2' HD21 ' A' ' 50' ' ' LEU . 16.2 t80 -125.99 137.14 53.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.97 49.96 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.95 43.72 5.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 141.31 46.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.49 137.85 58.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -112.29 135.29 53.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.02 164.34 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -83.29 -0.65 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.8 -18.92 33.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.555 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 13.8 mmt180 -91.82 -170.88 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -147.68 162.55 38.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 18' ' ' GLU . 2.4 mt -62.0 -51.62 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.9 t -62.46 -19.88 63.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.058 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.55 -25.44 20.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 3.7 m-85 -91.67 0.27 57.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 10.2 m-20 80.34 4.12 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.586 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 56.7 mt -61.36 135.63 25.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.28 -160.42 1.04 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -80.47 139.68 36.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 8.1 mt-10 74.42 3.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.224 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -70.5 108.36 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.504 ' C ' HD22 ' A' ' 67' ' ' LEU . 95.6 m -79.37 138.96 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -102.86 -174.9 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.9 m-70 -130.59 117.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.905 HD23 HG22 ' A' ' 7' ' ' THR . 6.6 tp -99.7 118.75 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.492 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 12.4 m -123.42 166.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.856 HD13 ' HB3' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -105.16 168.48 9.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -119.27 -175.61 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.561 ' O ' ' C ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -56.98 176.7 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.538 1.149 . . . . 0.0 109.364 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.561 ' C ' ' O ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER 25.2 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.79 54.54 2.63 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.442 0.163 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -113.42 140.93 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.626 HG12 HG22 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -134.32 179.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.781 ' CE1' HG23 ' A' ' 14' ' ' THR . 39.7 m-85 -140.88 -173.18 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -161.18 147.22 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.92 121.82 46.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.111 HG22 HD23 ' A' ' 69' ' ' LEU . 45.5 p -97.89 163.3 12.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.21 -28.77 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.7 t -83.13 7.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.19 52.01 55.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.595 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -115.38 126.94 55.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 m -92.64 106.21 18.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 110.348 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.2 mp -104.08 125.22 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.781 HG23 ' CE1' ' A' ' 4' ' ' PHE . 4.1 m -79.04 148.07 32.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt -142.6 135.94 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.42 80.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.029 HG11 HG22 ' A' ' 26' ' ' VAL . 13.3 m -104.04 -176.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.778 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -121.05 167.59 12.79 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 18' ' ' GLU . 18.1 Cg_endo -74.97 -18.34 18.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.5 m -93.15 -14.98 26.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.574 ' O ' HG22 ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.1 -173.52 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 52' ' ' ASP . 81.9 m -131.58 172.68 11.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.381 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.657 HD12 HD23 ' A' ' 50' ' ' LEU . 40.8 mm -71.31 -50.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 9.2 pt-20 -52.77 -24.7 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -80.02 -41.8 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.029 HG22 HG11 ' A' ' 17' ' ' VAL . 71.6 t -63.84 -49.52 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.611 ' HD2' HG22 ' A' ' 23' ' ' ILE . 13.2 mtpt -55.51 -48.01 75.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.41 -27.15 5.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.91 -29.93 44.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 15' ' ' LEU . 11.7 mm -73.86 -25.03 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 80.7 mm-40 -61.55 -44.91 96.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' LYS . 1.2 t0 -90.05 -53.29 4.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 1.4 mmpt? -36.37 -52.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -93.59 -46.59 7.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 105.28 21.49 8.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.902 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -103.7 146.67 32.95 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 0.741 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.902 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.03 162.01 37.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.18 -30.29 64.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -129.62 46.68 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.535 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 3.3 mm-40 -130.53 139.95 50.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB3' HG23 ' A' ' 70' ' ' VAL . 12.9 ttp85 -159.79 111.71 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD22 ' HG3' ' A' ' 27' ' ' LYS . 4.6 tp -81.59 135.02 35.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mt -141.52 123.54 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 61' ' ' ILE . 17.6 t80 -110.82 136.39 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.86 59.86 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 37.67 43.69 1.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 147.51 45.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.68 144.6 47.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -105.52 -177.29 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -154.19 147.73 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' O ' HG21 ' A' ' 22' ' ' THR . 3.3 p-10 -75.18 -14.04 60.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.56 -19.52 37.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 8.6 mmt180 -79.67 -170.65 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -152.34 161.16 43.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.426 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.2 mt -62.96 -52.44 63.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 t -61.6 -17.01 53.33 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.75 -26.26 19.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.3 m-85 -95.02 1.75 55.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 59' ' ' TYR . 7.4 m-80 76.03 7.05 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 ' CE2' ' A' ' 45' ' ' PHE . 49.9 mt -57.89 136.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -129.33 -152.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -83.43 152.36 25.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 57.2 38.11 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 m -99.75 103.0 14.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.565 HG23 ' HB2' ' A' ' 4' ' ' PHE . 42.7 m -78.77 127.76 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.441 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -91.27 -173.89 3.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' ILE . 15.0 m-70 -132.99 109.68 9.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.111 HD23 HG22 ' A' ' 7' ' ' THR . 4.4 tp -93.16 117.43 30.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 42' ' ' ARG . 17.4 m -123.14 178.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 40' ' ' GLN . 2.2 tp -92.42 -169.92 2.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.86 164.33 27.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.559 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.81 -174.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.68 119.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.09 50.36 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ttm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -140.23 106.69 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.567 HD13 ' CG2' ' A' ' 17' ' ' VAL . 8.3 pt -102.41 170.04 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.081 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.882 ' CE1' HG23 ' A' ' 14' ' ' THR . 49.7 m-85 -134.04 -172.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.0 p -160.85 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -121.47 118.37 29.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.38 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.701 ' OG1' HG22 ' A' ' 9' ' ' THR . 1.4 p -88.13 -167.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.2 mt -80.18 -27.33 38.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.701 HG22 ' OG1' ' A' ' 7' ' ' THR . 1.1 t -79.3 -13.58 59.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.37 53.79 3.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 122.89 44.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 109.229 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -87.86 105.75 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.7 mp -101.63 123.26 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.882 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.0 m -78.88 148.18 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.428 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 30' ' ' ILE . 5.0 mt -141.96 145.45 34.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.12 77.36 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.567 ' CG2' HD13 ' A' ' 3' ' ' ILE . 15.0 m -119.15 135.11 60.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.904 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -72.94 173.7 5.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 18' ' ' GLU . 18.0 Cg_endo -74.93 -17.02 20.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.434 1.755 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.8 m -89.25 -20.32 24.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.964 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.35 176.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' ARG . 63.5 m -122.04 167.45 13.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.59 1.181 . . . . 0.0 110.386 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.509 HD12 HD23 ' A' ' 50' ' ' LEU . 18.3 mm -66.92 -52.09 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -51.96 -22.57 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -40.1 25.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.616 HG11 HD21 ' A' ' 43' ' ' LEU . 96.0 t -64.64 -56.78 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -50.48 -46.87 57.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.69 -33.08 6.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 25.2 mttp -78.74 -33.73 46.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.513 HD11 ' CD1' ' A' ' 15' ' ' LEU . 15.4 mm -68.27 -23.38 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.475 HE21 ' NE2' ' A' ' 41' ' ' GLN . 3.9 mp0 -66.62 -49.56 65.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LYS . 5.2 t0 -84.17 -49.19 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 2.7 mmpt? -37.75 -63.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -83.31 -55.4 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.18 31.28 1.74 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.602 1.189 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.908 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.1 mp -117.05 148.53 42.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.908 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.04 151.49 39.4 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.536 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.92 1.43 7.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -24.44 63.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.5 mt-30 -119.04 -25.67 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 5.4 mm-40 -54.65 149.37 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -160.41 100.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.693 ' HG ' HD12 ' A' ' 67' ' ' LEU . 6.5 tp -79.48 131.48 36.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.85 119.94 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE2' HG12 ' A' ' 61' ' ' ILE . 14.3 t80 -100.33 139.49 35.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.2 46.64 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 49.94 38.21 30.6 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' PHE . 3.1 ttmm -129.19 140.27 51.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 0.829 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 142.28 57.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.57 -176.83 3.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 4.8 mt-10 -158.08 146.86 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' O ' ' CG2' ' A' ' 22' ' ' THR . 13.5 p-10 -75.06 -23.8 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.69 -13.99 74.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -86.23 -166.61 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 0.757 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -154.14 165.54 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -69.16 -53.09 21.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.6 t -57.16 -21.74 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' O ' ' NH1' ' A' ' 54' ' ' ARG . 12.9 m-20 -89.29 -33.38 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 54' ' ' ARG . 1.9 m-85 -83.65 9.15 12.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 18.5 t30 65.42 14.18 9.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 56' ' ' LEU . 29.9 mt -62.51 131.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' LYS . 3.0 mt-30 -125.18 149.85 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -39.1 146.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 72.13 22.68 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -84.6 126.36 33.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 4' ' ' PHE . 37.1 m -99.63 123.26 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' HG ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -87.92 -177.83 5.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -132.32 111.52 11.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.624 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD22 HG21 ' A' ' 30' ' ' ILE . 15.8 tp -92.79 118.04 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.57 HG23 ' HB3' ' A' ' 42' ' ' ARG . 16.4 m -125.95 173.05 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 40' ' ' GLN . 1.0 OUTLIER -106.76 156.49 18.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -96.85 140.23 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.68 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -59.13 178.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' O ' HD23 ' A' ' 73' ' ' LEU . 14.7 ptt180 -38.04 137.71 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.66 50.26 4.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 49.1 mt-30 -126.83 94.79 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.542 HG12 HG22 ' A' ' 17' ' ' VAL . 1.2 pt -82.71 -175.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.128 . . . . 0.0 109.373 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 14' ' ' THR . 46.4 m-85 -144.95 -171.37 3.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.446 ' CG2' HD11 ' A' ' 15' ' ' LEU . 52.4 t -150.43 138.5 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.31 114.53 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.389 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.999 HG22 HD23 ' A' ' 69' ' ' LEU . 18.2 p -93.31 170.45 9.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 3.5 mm? -53.84 -36.75 62.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.744 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.2 t -79.85 0.1 32.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 83.46 -10.87 57.98 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.573 1.171 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -39.66 137.96 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -110.96 100.29 9.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 3.0 mp -94.08 116.77 36.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.799 HG23 ' CE1' ' A' ' 4' ' ' PHE . 21.4 m -79.44 149.49 31.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 HD11 ' A' ' 30' ' ' ILE . 5.4 mt -143.0 161.81 37.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -131.52 63.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.995 HG11 HG22 ' A' ' 26' ' ' VAL . 4.2 m -87.59 -172.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.75 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -130.39 171.17 9.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -28.09 9.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.4 m -84.26 -13.6 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.561 ' O ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -65.96 -172.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ARG . 77.6 m -133.07 168.24 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 50' ' ' LEU . 15.4 mm -67.39 -50.89 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -54.45 -21.96 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -81.84 -37.12 27.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.995 HG22 HG11 ' A' ' 17' ' ' VAL . 70.5 t -69.74 -50.1 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HG3' HD22 ' A' ' 43' ' ' LEU . 2.3 mtpm? -57.22 -45.97 83.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.39 -28.91 8.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 57.3 mttp -78.16 -29.15 48.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.588 HD11 HD11 ' A' ' 15' ' ' LEU . 9.9 mm -76.2 -29.54 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 41' ' ' GLN . 86.9 mm-40 -56.89 -46.09 82.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.82 -53.3 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 17.5 mmmt -40.81 -44.81 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.623 ' OE1' HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -97.35 -57.72 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 31' ' ' GLN . . . 112.04 33.07 2.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.89 HG23 ' HD2' ' A' ' 37' ' ' PRO . 2.3 mp -122.58 147.08 49.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.89 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.08 162.36 37.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.99 1.38 7.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.441 1.759 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.74 -21.07 57.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.7 mt-30 -121.05 -24.55 5.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.453 1.095 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 31' ' ' GLN . 5.9 mt-30 -73.33 146.13 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 72' ' ' ARG . 15.8 ttp85 -160.3 105.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD22 ' HG3' ' A' ' 27' ' ' LYS . 4.6 tp -79.65 133.38 36.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -142.18 127.24 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CE2' HG12 ' A' ' 61' ' ' ILE . 11.1 t80 -112.0 136.73 50.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 43.38 52.87 5.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.13 34.17 5.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -123.21 135.99 54.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 0.811 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 139.6 58.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -107.68 146.13 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 1.2 mt-10 -121.77 151.5 40.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.5 ' O ' HG21 ' A' ' 22' ' ' THR . 5.8 p-10 -76.48 -18.19 58.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.38 -16.87 59.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -83.14 -168.5 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -153.23 160.71 42.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.355 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -64.78 -53.52 45.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 t -54.27 -24.28 18.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' CZ ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -88.51 -33.34 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.2 m-85 -82.7 8.31 12.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 19.6 t30 63.28 15.45 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.559 HG12 ' CE2' ' A' ' 45' ' ' PHE . 31.2 mt -64.01 133.93 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.0 mm100 -119.14 -173.28 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 149.15 41.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 65.82 10.84 7.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 43.0 m -75.92 107.1 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.953 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 4' ' ' PHE . 96.3 m -79.24 137.86 37.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -98.38 -171.4 2.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' ILE . 14.8 m-70 -131.93 110.71 10.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.636 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.999 HD23 HG22 ' A' ' 7' ' ' THR . 22.0 tp -96.27 104.94 16.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 22.5 m -113.22 176.46 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 71' ' ' LEU . 1.1 tp -93.54 -174.32 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -141.21 174.87 10.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 39.59 -158.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.67 56.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 -76.32 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.713 ' HE1' HG23 ' A' ' 17' ' ' VAL . 10.3 ptm . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.455 0.169 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -120.3 106.84 12.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 65' ' ' SER . 2.3 pp -98.7 168.28 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.896 ' CE1' HG23 ' A' ' 14' ' ' THR . 37.4 m-85 -131.18 -169.3 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 p -160.73 144.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.234 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -112.78 113.01 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.8 HG22 HD23 ' A' ' 69' ' ' LEU . 10.1 p -80.8 178.79 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.328 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' A' ' 71' ' ' LEU . 31.4 mt -58.59 -33.64 70.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -80.21 -15.5 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 99.41 -27.36 20.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -35.23 128.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -96.44 123.19 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 2.4 mp -112.3 126.13 69.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.896 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.1 m -81.54 145.66 30.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 14' ' ' THR . 1.9 mm? -127.09 169.5 13.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.82 55.83 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.891 HG11 HG22 ' A' ' 26' ' ' VAL . 12.5 m -91.69 -171.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.835 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -128.85 165.09 34.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -75.06 -17.6 19.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 m -95.6 -8.58 34.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.747 ' O ' HG22 ' A' ' 55' ' ' THR . 0.7 OUTLIER -74.06 -174.34 1.87 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.228 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 52' ' ' ASP . 87.1 m -117.49 171.59 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 23' ' ' ILE . 3.0 mm -70.01 -50.4 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.91 -19.39 11.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -80.47 -24.56 39.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.891 HG22 HG11 ' A' ' 17' ' ' VAL . 94.4 t -82.09 -50.81 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.37 -42.69 87.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.59 22.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 19.4 mttm -76.84 -32.83 57.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 15' ' ' LEU . 6.7 mm -74.2 -26.91 21.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 4.3 mp0 -59.1 -49.13 79.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -84.35 -53.78 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 10.3 mmmt -36.39 -62.81 0.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.478 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -80.39 -54.94 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.375 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.54 30.96 2.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.868 HG23 ' HD2' ' A' ' 37' ' ' PRO . 4.0 mt -117.3 146.17 37.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.868 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.03 156.51 42.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.4 Cg_endo -74.9 1.81 7.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.419 1.747 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.2 -19.07 58.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.521 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.8 mt-30 -121.49 -28.13 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 38' ' ' PRO . 6.2 mt-30 -64.58 149.19 49.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -160.32 103.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.551 ' HG ' HD12 ' A' ' 67' ' ' LEU . 5.7 tp -79.05 124.84 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.2 mm -128.63 119.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.642 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 7.6 t80 -108.88 138.99 44.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 39.61 47.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.23 63.87 2.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.421 1.076 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' O ' HD13 ' A' ' 50' ' ' LEU . 2.7 ptpp? -157.43 128.88 6.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.18 138.38 16.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -107.75 172.12 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -167.82 155.94 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -72.05 -41.16 67.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -45.59 -27.21 1.98 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -96.9 -171.34 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 0.797 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -144.97 158.68 43.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.835 HD12 ' O ' ' A' ' 18' ' ' GLU . 3.0 mt -54.61 -57.17 12.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.0 t -58.77 -16.22 15.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' HB2' ' OG1' ' A' ' 55' ' ' THR . 1.1 t70 -90.51 -38.0 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.47 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 3.0 m-85 -81.72 5.74 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 80.02 -0.19 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 63.8 mt -57.33 140.82 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -141.35 -167.21 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 136.04 46.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 70.84 43.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.1 m -108.67 104.47 13.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 4' ' ' PHE . 57.1 m -78.88 124.09 27.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -88.22 -179.17 6.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ILE . 12.2 m170 -123.67 101.66 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.8 HD23 HG22 ' A' ' 7' ' ' THR . 12.5 tp -87.85 111.44 21.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.6 m -124.78 -179.19 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.593 ' HB2' HD11 ' A' ' 8' ' ' LEU . 1.6 tp -95.53 -169.5 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.381 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -143.66 157.05 44.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.658 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -57.88 -179.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' O ' HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -37.89 138.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.97 57.85 0.41 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.586 1.179 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HE3' ' CD ' ' A' ' 19' ' ' PRO . 8.8 ptp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.458 0.17 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 11.7 pt20 -118.78 94.97 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.173 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 62' ' ' GLN . 8.5 pt -94.31 161.14 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 67' ' ' LEU . 24.7 m-85 -123.29 178.73 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.2 p -157.46 144.11 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -107.58 119.26 38.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 7.4 p -92.13 -176.64 4.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 2.0 mm? -53.33 -41.22 65.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.513 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -79.21 -18.68 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 96.48 -18.81 56.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.529 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -36.77 119.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -80.04 112.84 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 11' ' ' LYS . 2.5 mp -104.04 122.18 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.506 HG23 ' CE1' ' A' ' 4' ' ' PHE . 2.4 m -79.84 143.07 34.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' ILE . 2.0 mm? -129.18 130.77 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.369 1.043 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.81 69.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.853 HG11 HG22 ' A' ' 26' ' ' VAL . 4.6 m -104.29 -172.42 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.863 ' O ' HD12 ' A' ' 56' ' ' LEU . 8.5 pt-20 -122.58 160.08 50.12 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.474 ' CD ' ' HE3' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.0 0.29 9.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.81 . . . . 0.0 111.042 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 m -112.59 -3.7 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.608 1.193 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 55' ' ' THR . 2.8 m-20 -78.79 -170.73 2.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' ARG . 87.2 m -123.55 169.54 11.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 50' ' ' LEU . 15.9 mm -68.89 -48.4 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 52' ' ' ASP . 0.5 OUTLIER -55.04 -23.2 18.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.76 -32.66 41.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.853 HG22 HG11 ' A' ' 17' ' ' VAL . 74.0 t -73.01 -54.11 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HG3' HD22 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -52.86 -45.02 67.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.09 -32.7 16.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' VAL . 8.9 mttt -77.02 -30.34 55.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.636 HG21 HD22 ' A' ' 69' ' ' LEU . 19.3 mm -71.43 -25.46 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.8 HE21 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -60.45 -49.98 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -83.7 -53.86 5.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -36.13 -50.88 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -39.04 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 110.226 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 31' ' ' GLN . . . 97.55 22.09 17.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.833 HG23 ' HD2' ' A' ' 37' ' ' PRO . 0.7 OUTLIER -105.72 150.13 38.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.833 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.99 149.39 36.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.5 Cg_endo -74.97 0.98 8.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -30.05 69.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.434 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -127.39 40.12 3.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.8 ' NE2' HE21 ' A' ' 31' ' ' GLN . 3.6 mt-30 -114.59 144.79 42.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -159.61 107.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 27' ' ' LYS . 5.7 tp -79.72 128.89 33.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -130.4 119.52 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.751 ' HB2' HD23 ' A' ' 67' ' ' LEU . 4.3 t80 -107.09 140.14 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' PHE . . . 38.78 52.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.99 50.7 11.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -140.77 150.96 44.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -78.48 134.04 37.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' HB3' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -102.55 163.0 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' OH ' ' A' ' 59' ' ' TYR . 6.3 mt-10 -135.2 150.06 50.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' HG21 ' A' ' 22' ' ' THR . 7.8 p-10 -77.7 -10.03 59.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.34 -21.25 32.8 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.581 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -81.52 -168.87 2.04 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 0.772 . . . . 0.0 110.262 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -145.83 163.22 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 18' ' ' GLU . 1.6 mt -64.75 -55.82 17.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 11.9 t -58.49 -17.57 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.54 -36.06 14.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -85.2 12.16 8.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 29.1 t30 70.63 6.78 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.594 HG12 ' CE2' ' A' ' 45' ' ' PHE . 88.5 mt -65.71 134.72 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.651 ' O ' HG22 ' A' ' 3' ' ' ILE . 21.2 pt20 -143.83 -158.22 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 135.18 40.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 15.0 mt-10 73.32 38.61 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 m -99.48 105.73 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.543 HG23 ' HB2' ' A' ' 4' ' ' PHE . 14.0 m -85.12 116.0 23.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.751 HD23 ' HB2' ' A' ' 45' ' ' PHE . 3.8 mp -98.92 -165.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' ILE . 10.5 m-70 -133.07 134.97 45.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD22 HG21 ' A' ' 30' ' ' ILE . 5.4 tp -114.93 104.16 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 6.4 m -105.89 154.5 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.36 153.5 46.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -103.7 -176.07 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD13 ' H ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -92.13 -176.65 4.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.2 109.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -41.07 -58.19 2.81 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttm . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.449 0.166 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' GLU . 40.0 mt-30 -136.33 160.22 39.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CG1' ' HB2' ' A' ' 15' ' ' LEU . 5.5 pt -150.6 173.03 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.875 ' CE1' HG23 ' A' ' 14' ' ' THR . 54.9 m-85 -137.0 -172.6 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.17 154.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -121.72 112.59 18.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.641 HG22 HD23 ' A' ' 69' ' ' LEU . 67.4 p -85.54 -169.21 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 70' ' ' VAL . 1.1 mm? -63.87 -38.76 92.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.648 HG23 ' HB2' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -79.45 -10.32 59.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' LYS . . . 89.95 -17.72 51.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.648 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -36.33 120.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 0.761 . . . . 0.0 109.238 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -90.27 106.58 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.4 mp -99.52 125.44 53.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.875 HG23 ' CE1' ' A' ' 4' ' ' PHE . 11.1 m -80.71 152.78 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD11 HD11 ' A' ' 30' ' ' ILE . 7.1 mt -142.52 152.21 42.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.89 73.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.242 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG11 HG22 ' A' ' 26' ' ' VAL . 14.2 m -109.84 164.62 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.148 . . . . 0.0 109.348 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.925 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -99.33 165.85 14.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.98 -13.21 21.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.9 m -97.22 -15.18 20.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER -59.75 -172.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 84.9 m -126.68 167.27 15.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 23' ' ' ILE . 8.9 mm -66.46 -47.66 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.85 -21.85 22.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.54 -34.24 31.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG11 HD21 ' A' ' 43' ' ' LEU . 98.0 t -70.94 -56.93 9.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.471 ' HG3' HD22 ' A' ' 43' ' ' LEU . 3.5 mtpt -51.27 -44.77 61.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.206 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.1 -31.7 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 13.9 mttt -79.27 -29.44 42.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.725 HG21 HD22 ' A' ' 69' ' ' LEU . 13.9 mm -73.41 -20.3 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.594 HE21 ' NE2' ' A' ' 41' ' ' GLN . 1.4 mp0 -66.77 -47.2 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -87.43 -50.13 6.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -36.72 -57.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -89.2 -55.37 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.3 32.38 1.66 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.465 1.103 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.879 HG23 ' HD2' ' A' ' 37' ' ' PRO . 1.1 mp -119.12 148.52 45.13 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.879 ' HD2' HG23 ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.04 154.02 41.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.543 ' HA ' ' HB2' ' A' ' 41' ' ' GLN . 18.3 Cg_endo -74.97 1.64 7.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.772 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.96 -25.38 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.506 ' NE2' ' HG2' ' A' ' 37' ' ' PRO . 1.4 mt-30 -118.19 -25.86 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.594 ' NE2' HE21 ' A' ' 31' ' ' GLN . 5.6 mm-40 -53.14 148.12 8.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HB3' HG23 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -160.6 101.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 HD21 HG11 ' A' ' 26' ' ' VAL . 5.6 tp -79.4 127.07 31.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.81 124.45 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 61' ' ' ILE . 16.7 t80 -114.53 137.15 52.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 40.48 48.59 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.03 49.11 18.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -140.44 138.59 34.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 109.247 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.61 139.29 58.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -111.01 157.81 19.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -147.04 161.72 40.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 53' ' ' GLY . 39.7 p30 -78.94 -14.4 59.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -80.6 -10.84 84.74 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.604 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.44 -168.3 1.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -150.91 164.2 36.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 18' ' ' GLU . 2.1 mt -64.52 -51.82 60.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 30.2 t -61.61 -19.5 62.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 3.1 m-20 -90.27 -33.54 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 54' ' ' ARG . 2.0 m-85 -86.19 12.32 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 59' ' ' TYR . 23.6 t30 68.02 10.86 8.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 45' ' ' PHE . 79.3 mt -68.49 133.16 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' O ' ' OG ' ' A' ' 65' ' ' SER . 0.5 OUTLIER -131.55 -152.12 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 145.26 30.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 2' ' ' GLN . 8.6 mt-10 65.3 18.31 11.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 14.3 m -76.11 103.96 6.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 4' ' ' PHE . 16.1 m -79.38 126.03 30.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -93.83 -171.65 2.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -137.52 111.08 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 30' ' ' ILE . 4.2 tp -94.3 118.28 31.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.562 ' N ' HD12 ' A' ' 69' ' ' LEU . 9.7 m -131.06 163.03 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.6 tp -84.38 -174.67 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.554 ' CZ ' HD21 ' A' ' 73' ' ' LEU . 1.8 mtp85 -141.43 168.28 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -47.6 174.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' LEU . 3.3 ptt180 36.56 83.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.95 48.41 3.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.929 . . . . . . . . 0 0 . 1 stop_ save_