data_2di0_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 2di0 _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 ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.91 -50.46 61.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -47.2 -57.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.5 mt -44.96 -63.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 97.6 mt -41.8 -69.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -40.93 -48.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -60.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 79.1 t -61.0 -54.49 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 6.1 ttpt -44.18 -54.94 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.06 -34.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' VAL . 59.4 mt -89.57 -37.76 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 50' ' ' ILE . 96.7 mt -128.38 73.23 80.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.02 -30.71 6.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.78 -50.9 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 57.0 mt -64.55 154.76 35.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 142.97 19.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' CD ' ' A' ' 21' ' ' LYS . 14.4 mt-10 -47.36 -50.67 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -39.55 -44.43 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.419 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 36.7 t80 -79.22 -32.11 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' GLU . 40.3 mt -69.31 -35.59 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -70.27 -52.69 21.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -55.32 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LEU . 5.5 m -49.27 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' TYR . 4.9 mt -40.2 -59.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.6 mt-10 -45.56 -50.52 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -68.44 -24.77 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 37.6 m-85 -103.13 47.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' TYR . 29.1 m-70 39.5 43.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 42.0 m-85 47.0 50.47 13.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.48 129.93 24.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.19 -51.0 65.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.86 -62.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.68 -65.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -51.94 -58.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -41.61 -53.22 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.0 m-80 -56.03 -60.79 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 24' ' ' LEU . 90.3 mt -48.11 -55.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.05 -42.1 76.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 2.3 mm-40 -88.45 17.0 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.7 mt-10 38.76 31.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' GLU . 13.2 mtp85 -93.3 16.23 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 50' ' ' ILE . 23.6 mt -53.96 124.57 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.1 161.09 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.5 21.39 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -93.96 -25.58 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.0 mt -93.22 -48.3 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -54.36 -22.4 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -91.24 -34.88 14.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mt -47.28 164.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.83 106.89 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.97 -26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -114.36 45.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.1 tp -74.15 138.31 43.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.86 -45.39 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -57.65 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -53.17 -57.66 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 69.0 mt -43.5 -66.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -53.03 -53.05 55.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -38.82 -56.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 43' ' ' PRO . 91.5 t -64.14 -54.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 8.5 ttpt -43.95 -55.43 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.86 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.2 mt -90.88 -38.95 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 50' ' ' ILE . 86.8 mt -127.34 72.78 77.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.51 9.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.8 -53.05 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.41 168.23 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.59 142.07 15.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' ILE . 56.7 mt-10 -44.56 -52.14 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.0 -44.22 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -79.4 -30.99 42.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 81.0 mt -70.52 -36.33 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -53.34 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.97 -56.25 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 5.0 m -48.11 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 41' ' ' TYR . 14.6 mt -40.07 -64.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -38.55 -60.51 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.93 -39.1 84.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 46' ' ' VAL . 34.0 m-85 -87.86 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.5 m-70 37.84 52.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 44.2 m-85 37.47 57.27 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.75 128.77 24.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HB3' ' CG2' ' A' ' 20' ' ' VAL . 18.5 Cg_endo -74.94 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.12 -45.37 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -56.34 -59.68 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 39' ' ' TYR . 55.7 t -48.15 -65.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ASN . 51.6 mt -46.33 -63.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' ILE . 3.4 m-80 -40.16 -62.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 10.0 m-80 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 55' ' ' LEU . 21.8 mt -47.18 -57.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mt -48.48 -47.45 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.8 17.99 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.7 mm-40 38.71 39.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.29 27.06 7.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 50' ' ' ILE . 16.4 mt -65.67 124.11 21.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.16 168.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.86 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -62.55 -48.42 79.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.34 -47.14 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t -54.36 -29.1 47.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -72.3 -41.52 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.68 133.29 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -42.91 127.65 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -58.28 -42.1 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 63' ' ' ASP . 52.7 p-10 -103.61 52.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -78.28 139.9 38.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.69 -37.9 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -56.46 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.3 mt -45.92 -46.03 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 68.9 mt -59.89 -66.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -45.22 -48.13 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.73 -49.48 7.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.4 t -72.28 -54.39 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -44.79 -53.82 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.47 -34.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 53.5 mt -90.43 -39.36 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.9 mt -125.61 74.41 69.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.01 -29.37 8.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -47.0 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.25 155.86 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.22 151.04 22.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 15.7 mt-10 -56.33 -50.31 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -40.66 -41.96 2.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -81.22 -30.97 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 33.6 mt -71.16 -34.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.26 -52.42 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.36 -53.82 16.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' TYR . 4.1 m -51.19 -61.64 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 6.4 mt -43.82 -62.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 4.5 mt-10 -40.42 -48.07 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -71.41 -34.78 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 36.3 m-85 -91.47 47.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 89.0 m-70 39.05 47.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 43.0 m-85 43.52 43.84 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -111.19 131.04 22.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -55.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.1 -53.2 13.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -47.3 -57.27 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 39' ' ' TYR . 89.7 t -48.48 -66.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.02 -61.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -40.64 -54.44 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.563 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.8 m-80 -55.8 -69.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 55' ' ' LEU . 21.6 mt -40.43 -44.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.04 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -80.16 3.36 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER 52.13 31.54 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -90.71 6.91 42.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 50' ' ' ILE . 15.6 mt -40.84 132.61 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 160.01 2.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.13 21.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 m -94.31 -28.85 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.24 -44.15 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -56.24 -18.23 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -92.92 -30.5 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.1 mt -50.99 156.89 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.2 110.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -24.03 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -117.55 46.59 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.1 tp -75.94 132.72 40.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 41' ' ' TYR . 4.1 tt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -51.14 -53.64 32.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -51.29 -53.02 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -46.33 -38.35 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.456 HD13 ' CD2' ' A' ' 13' ' ' LEU . 90.2 mt -73.46 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -42.57 -47.23 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -47.8 -58.84 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.9 t -65.41 -53.79 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.537 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.08 -57.03 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -44.48 -35.31 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' VAL . 37.7 mt -83.3 -38.0 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.1 mt -126.09 73.91 71.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.4 16.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -57.77 -43.7 85.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.75 167.41 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.98 144.2 16.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 20.3 mt-10 -48.24 -51.4 25.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.13 -44.65 2.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 29.5 t80 -78.97 -32.89 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.537 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 63.4 mt -68.42 -37.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.93 -52.51 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.37 -53.05 32.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.1 m -51.98 -51.5 56.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CD1' HG12 ' A' ' 17' ' ' ILE . 15.3 mt -52.02 -61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.93 -48.06 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.46 -43.37 90.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.639 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 39.3 m-85 -87.37 41.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 39.91 55.37 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 13' ' ' LEU . 54.7 m-85 43.77 48.29 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -111.39 119.76 44.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -49.2 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.59 -49.91 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -52.22 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.45 HG21 ' CD2' ' A' ' 39' ' ' TYR . 62.0 t -40.41 -60.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.38 -60.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.2 m-80 -40.39 -53.02 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.639 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 27.9 m-80 -57.72 -64.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.427 HG12 ' CD1' ' A' ' 55' ' ' LEU . 31.3 mt -44.14 -38.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.85 -41.12 65.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 mm-40 -90.07 20.44 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 39.1 34.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 13.0 mtp85 -100.06 23.91 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' CD1' HG12 ' A' ' 50' ' ' ILE . 19.1 mt -61.93 121.2 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.4 157.34 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.16 18.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -30.13 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.2 mt -91.2 -42.13 10.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -56.12 -30.76 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -79.39 -35.17 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -51.72 157.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.51 115.18 4.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.31 -24.22 18.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -117.43 41.26 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HB3' ' N ' ' A' ' 31' ' ' PHE . 5.3 tp -66.96 151.43 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.26 -49.96 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -48.33 -61.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -41.56 -51.72 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 89.7 mt -56.46 -68.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -43.93 -48.26 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -46.27 -50.96 15.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 24' ' ' LEU . 93.9 t -69.3 -55.39 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.28 -53.88 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -45.37 -34.64 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' VAL . 40.7 mt -87.36 -36.31 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 50' ' ' ILE . 77.4 mt -125.68 74.54 70.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -42.37 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 46.6 mt -76.09 165.8 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.94 141.52 15.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 12.1 mt-10 -46.3 -50.37 16.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 0.741 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -39.69 -44.64 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.42 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 37.5 t80 -79.0 -31.6 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 66.2 mt -69.74 -36.05 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.7 -52.06 28.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.17 -55.27 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . 16.7 m -50.38 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.9 mt -40.24 -58.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 20.8 mt-10 -45.53 -45.42 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.9 -32.44 65.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -94.63 45.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 39.05 44.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 66.1 m-85 45.8 68.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.3 t0 -132.09 125.59 20.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -26.04 11.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -54.27 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -49.39 -51.22 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.9 t -53.42 -57.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.7 -65.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.33 -48.65 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 m-80 -58.25 -70.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 55' ' ' LEU . 19.1 mt -41.25 -41.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.16 -49.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -79.18 2.98 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 mp0 53.3 28.52 7.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -94.04 20.48 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 50' ' ' ILE . 24.0 mt -54.08 123.42 12.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.09 156.22 0.48 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.84 21.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 m -91.81 -29.62 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 mt -90.83 -43.04 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 t -57.66 -29.43 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 -32.82 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.27 159.39 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.0 112.47 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 8.8 mtm180 -51.9 -27.29 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -113.43 44.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.0 tp -71.24 138.59 49.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -49.6 -39.35 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -58.83 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -46.81 -50.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 83.9 mt -52.3 -67.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -46.53 -52.5 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -41.2 -44.44 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -72.28 -55.37 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HE2' ' CD1' ' A' ' 32' ' ' ILE . 1.9 ttmm -47.29 -49.01 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -46.05 -26.08 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 21' ' ' LYS . 37.6 mt -100.75 -30.95 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.1 mt -128.22 72.95 79.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.78 21.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.22 -47.71 67.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -72.24 167.45 20.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.94 145.32 16.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.8 mt-10 -46.46 -52.97 12.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 0.73 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.6 -45.77 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -77.8 -31.51 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 79.5 mt -69.43 -37.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.83 -52.29 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.83 -55.37 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 20.1 m -52.56 -64.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 17' ' ' ILE . 6.9 mt -40.5 -63.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.547 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -41.9 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.469 ' CG ' HD13 ' A' ' 59' ' ' LEU . 49.8 t80 -51.79 -46.88 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 59.5 m-85 -87.43 43.57 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 5.7 m170 39.94 59.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 56.6 m-85 37.78 55.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -113.23 116.5 46.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.48 -59.05 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 35' ' ' CYS . 11.3 t -47.29 -58.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.1 mt -54.78 -62.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -40.28 -57.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 45.8 m-80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 55' ' ' LEU . 21.9 mt -43.79 -47.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -59.11 -46.9 87.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.12 21.66 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mt-10 39.45 33.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -100.0 39.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 50' ' ' ILE . 12.6 mt -78.93 127.47 32.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.04 158.61 0.54 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 18.3 Cg_endo -74.98 -22.02 15.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -81.63 -38.49 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 38' ' ' TYR . 12.2 mt -82.31 -46.05 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.0 t -56.12 -23.88 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 7.7 mm100 -74.67 -38.79 62.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.9 145.26 25.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -50.27 120.28 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -51.74 -36.84 48.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -107.48 50.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.74 139.08 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.7 -46.58 81.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.57 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -46.08 -44.42 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -65.55 -64.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 p -41.58 -50.87 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -47.63 -53.01 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' LEU . 82.9 t -67.63 -55.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.7 -49.02 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.63 -32.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . 69.2 mt -91.03 -32.92 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 83.0 mt -129.96 70.64 82.16 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -21.67 15.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -50.57 73.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 74.3 mt -64.87 153.76 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.36 134.01 12.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 10.3 mt-10 -43.17 -47.93 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.25 -45.86 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -77.05 -30.55 55.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 73.0 mt -70.51 -37.48 70.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 34' ' ' ALA . 1.4 tm? -68.11 -53.86 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' HD12 ' A' ' 33' ' ' LEU . . . -46.94 -57.65 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 m -46.68 -63.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.7 mt -41.35 -59.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.526 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -43.18 -59.01 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -52.79 -45.21 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.643 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 66.4 m-85 -87.58 40.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' TYR . 11.7 m-70 40.02 58.41 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 59.4 m-85 39.73 58.7 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 66.7 m-20 -115.92 120.62 35.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.17 -49.44 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.433 ' NE2' ' OD2' ' A' ' 42' ' ' ASP . 52.2 mt-30 -55.71 -60.14 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 99.4 t -42.23 -66.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.99 -51.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.4 -55.18 7.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.643 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 21.7 m-80 -54.55 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 55' ' ' LEU . 19.6 mt -40.88 -49.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.72 -48.22 75.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.1 mm-40 -89.82 20.91 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER 38.75 37.1 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -103.24 37.35 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 50' ' ' ILE . 11.4 mt -75.36 131.71 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.51 156.4 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.47 20.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -92.73 -27.02 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -94.41 -47.13 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -53.66 -20.16 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.0 pt20 -90.65 -34.47 15.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 15.2 mt -50.06 162.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 120.15 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtt180 -58.61 -28.95 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -110.67 43.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.38 145.82 49.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' A' ' 17' ' ' ILE . 5.4 tt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -58.66 -41.77 86.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -61.82 -56.14 22.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' TYR . 88.9 mt -40.59 -52.32 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 77.3 mt -58.37 -69.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -39.43 -46.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -52.11 -56.17 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.57 -53.14 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -47.01 -51.68 16.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.5 -26.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 47' ' ' ILE . 57.5 mt -98.37 -34.98 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -129.52 70.48 81.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.96 -34.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -53.57 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 39.4 mt -63.13 170.09 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.34 147.26 18.32 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.1 mt-10 -52.02 -50.92 60.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.85 -44.59 1.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.8 t80 -79.09 -33.51 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' GLU . 70.3 mt -68.07 -36.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -69.27 -52.67 25.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.36 -56.29 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LEU . 14.0 m -49.13 -64.25 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 11.0 mt -40.46 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 41' ' ' TYR . 1.8 mt-10 -41.69 -58.11 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -53.55 -47.05 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 65.8 m-85 -86.46 45.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' TYR . 60.2 m-70 39.91 57.54 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 37' ' ' GLU . 45.5 m-85 38.18 48.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -104.35 115.24 63.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.58 9.9 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -43.41 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 24.1 mt-30 -65.63 -56.9 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 t -40.53 -49.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 23' ' ' LEU . 91.9 mt -68.07 -59.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.03 -49.31 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 12.9 m120 -51.7 -66.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 55' ' ' LEU . 21.4 mt -49.97 -49.39 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.49 -49.18 68.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.67 14.36 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 45.61 29.34 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.352 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -92.39 23.32 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 50' ' ' ILE . 16.3 mt -56.3 126.03 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.89 2.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.91 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 m -95.16 -29.82 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.42 -46.28 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -54.57 -21.38 10.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -90.9 -25.03 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.8 168.27 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -70.25 104.7 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.452 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.7 mtm180 -44.35 -31.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -110.71 45.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.3 tp -71.19 140.58 50.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.94 -44.66 95.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.7 -53.28 32.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -48.1 -50.35 28.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.444 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 83.9 mt -55.69 -70.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.0 t -42.72 -51.65 5.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -42.95 -49.17 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 86.7 t -72.09 -53.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' LEU . 5.7 tttt -45.45 -53.23 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.17 -33.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 57.7 mt -92.43 -34.49 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.3 mt -128.39 72.47 80.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.0 Cg_endo -75.08 -29.6 7.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -49.92 -46.61 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.06 163.1 26.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.15 145.07 17.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 27.3 mt-10 -48.67 -52.02 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.39 -43.53 2.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -80.23 -30.29 38.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' GLU . 38.1 mt -71.43 -35.4 56.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.26 -52.48 22.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -54.22 15.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 6.2 m -51.9 -62.31 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.8 mt -41.98 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -41.78 -60.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD1' HD11 ' A' ' 59' ' ' LEU . 41.0 t80 -51.64 -45.33 63.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 48.0 m-85 -88.1 43.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' TYR . 59.2 m-70 40.01 57.56 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.9 m-85 39.15 57.15 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' N ' HD21 ' A' ' 36' ' ' LEU . 63.4 m-20 -115.7 117.63 39.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -46.08 89.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -55.85 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.485 HG23 ' CD2' ' A' ' 39' ' ' TYR . 37.9 t -46.57 -66.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -44.08 -59.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -46.19 -56.77 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 13.5 m-80 -50.67 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 46' ' ' VAL . 21.4 mt -42.39 -47.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.19 -43.38 95.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mm-40 -87.72 14.16 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 21.4 mt-10 42.62 33.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -101.16 31.84 3.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' CD1' HG12 ' A' ' 50' ' ' ILE . 13.4 mt -67.16 126.22 28.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.57 160.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.18 12.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -82.09 -30.87 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 38' ' ' TYR . 21.7 mt -85.56 -47.41 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -55.19 -27.99 49.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -70.18 -40.6 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.47 132.28 39.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -42.21 123.65 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -53.76 -32.38 52.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -111.15 52.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.07 139.53 36.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.35 -46.42 89.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -58.94 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.8 mt -41.59 -53.85 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 71.9 mt -48.7 -71.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -47.81 23.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.86 -55.57 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.91 -54.34 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 12.0 ttpt -45.49 -51.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 -33.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 ' CD1' HD13 ' A' ' 47' ' ' ILE . 54.9 mt -92.16 -34.36 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -128.92 72.15 81.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.03 -33.77 4.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.15 -51.51 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 67.2 mt -65.09 161.72 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.42 145.71 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 16.1 mt-10 -51.04 -51.51 52.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.83 -44.08 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -79.48 -31.43 42.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 42.7 mt -69.88 -34.6 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.62 -52.63 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.8 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -49.21 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' TYR . 7.2 mt -40.45 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.5 mt-10 -42.41 -60.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -51.81 -44.85 63.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CZ ' ' CG ' ' A' ' 49' ' ' ASN . 65.1 m-85 -88.47 43.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 86.7 m-70 40.05 58.71 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.501 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.7 m-85 37.7 54.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.491 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 71.4 m-20 -110.55 124.98 31.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.72 -51.48 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -51.28 -61.97 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 88.2 t -40.77 -68.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 23' ' ' LEU . 73.0 mt -47.26 -59.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -44.12 -58.28 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.543 ' CG ' ' CZ ' ' A' ' 39' ' ' TYR . 10.0 m120 -45.06 -65.21 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 55' ' ' LEU . 24.4 mt -49.19 -46.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.3 mt -55.25 -49.62 71.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 19.02 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.58 34.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -97.69 36.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' CD1' HG12 ' A' ' 50' ' ' ILE . 12.1 mt -76.42 133.73 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.27 161.0 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.42 21.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.49 -22.74 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.2 -48.11 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -21.51 38.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.39 -31.3 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.33 162.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.88 112.82 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 9.1 mtm180 -49.59 -35.65 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -110.17 54.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.95 131.54 35.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -51.43 -46.63 63.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -53.16 57.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.6 mt -47.54 -57.55 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -45.05 -67.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.4 m -50.59 -54.21 24.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.99 -53.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -65.47 -56.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.5 tttp -44.11 -51.97 7.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -41.39 -35.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.4 -31.72 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 73.2 mt -127.42 72.56 77.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.7 -55.55 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 mt -60.91 159.72 10.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.8 146.23 18.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 32.2 mt-10 -50.45 -51.66 44.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.32 -42.04 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.415 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 42.2 t80 -81.4 -33.4 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 77.7 mt -68.99 -34.06 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.56 -52.38 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.0 -55.78 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' TYR . 5.7 m -48.78 -66.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' TYR . 11.4 mt -40.0 -55.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -49.7 -45.15 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CG ' HD11 ' A' ' 59' ' ' LEU . 10.1 t80 -76.05 -19.46 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 38.6 m-85 -109.0 47.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 27.3 m170 38.06 51.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.54 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 50.5 m-85 36.95 61.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' N ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -127.8 127.88 23.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -46.55 -47.37 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 70.3 mt-30 -57.23 -60.95 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.6 t -40.47 -62.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.465 ' CG2' HD11 ' A' ' 51' ' ' LEU . 97.6 mt -53.4 -58.39 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -44.41 -49.17 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 13.8 m120 -54.87 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mt -48.95 -56.86 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 47' ' ' ILE . 6.4 mt -50.19 -46.75 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ARG . 4.3 mm-40 -88.9 18.36 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.2 mt-10 38.88 30.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.4 mtp180 -89.5 17.42 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.51 136.71 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 163.94 19.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -12.82 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.9 -33.56 12.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 38' ' ' TYR . 16.2 mt -83.5 -39.75 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t -59.22 -34.85 72.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -79.24 -32.33 43.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -50.95 154.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.99 105.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -44.96 -34.46 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.03 56.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.415 ' HB3' ' N ' ' A' ' 31' ' ' PHE . 1.5 tp -83.0 141.28 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -41.73 -43.57 2.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -48.92 -56.65 8.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -52.17 -60.69 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.5 mt -44.24 -69.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.5 p -44.9 -56.1 4.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -43.26 -56.12 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.5 t -65.28 -53.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.18 -56.19 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -44.19 -30.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' VAL . 45.0 mt -89.31 -38.02 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 50' ' ' ILE . 96.8 mt -128.42 72.09 80.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -25.29 12.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -54.96 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.06 163.47 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.66 141.16 15.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 9.8 mt-10 -49.63 -50.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.84 -45.77 2.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.41 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 51.5 t80 -77.87 -30.89 51.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 42.5 mt -69.72 -36.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.55 -53.43 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.1 -54.31 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 m -49.31 -62.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.8 mt -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.506 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.3 mt-10 -43.94 -51.63 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -63.01 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 64.9 m-85 -87.29 42.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 39.95 56.41 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.7 m-85 39.39 52.13 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -110.87 124.16 33.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.427 1.751 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.37 -49.64 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 46.7 mt-30 -53.02 -61.55 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.3 t -41.02 -65.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -50.69 -55.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.76 -55.69 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' TYR . 8.5 m120 -50.75 -65.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 55' ' ' LEU . 20.0 mt -45.73 -53.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.77 -48.15 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.07 16.39 6.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.69 33.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -98.05 32.85 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 50' ' ' ILE . 16.3 mt -71.13 121.15 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.64 162.08 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.407 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 18.3 Cg_endo -75.03 -34.43 3.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -68.54 -26.07 65.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 mt -95.2 -43.62 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -58.16 -16.76 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 14.9 mm-40 -83.18 -41.47 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.0 mt -50.77 148.87 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -56.06 120.24 7.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -54.67 -27.3 39.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -115.21 57.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HB3' ' N ' ' A' ' 31' ' ' PHE . 1.5 tp -86.66 142.54 28.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.66 -42.04 95.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -55.18 -55.51 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 41' ' ' TYR . 77.6 mt -46.97 -43.35 19.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 93.3 mt -60.57 -58.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -55.67 -40.51 72.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -49.26 -51.38 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.7 -54.81 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 ttpp -46.28 -50.07 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -43.15 -30.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD11 ' N ' ' A' ' 23' ' ' LEU . 7.4 mp -100.34 -30.28 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 50' ' ' ILE . 88.8 mt -128.6 73.46 80.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.67 11.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.0 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.5 153.99 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.8 138.42 14.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 21.5 mt-10 -43.07 -51.71 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.13 -46.03 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.7 t80 -77.71 -34.3 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 76.1 mt -66.75 -36.62 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.27 -53.32 20.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.49 -55.22 11.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . 12.3 m -49.62 -64.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' TYR . 17.3 mt -40.38 -63.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.5 mt-10 -41.85 -56.62 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -61.07 -37.91 84.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD2' HG22 ' A' ' 46' ' ' VAL . 43.6 m-85 -91.38 46.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 10.1 m170 37.69 52.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.77 66.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.05 122.16 20.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -22.27 14.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.74 -46.54 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 7.5 mt-30 -57.17 -53.79 54.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 39' ' ' TYR . 55.7 t -49.58 -51.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.19 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -40.2 -52.88 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.569 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 6.7 m-80 -57.61 -66.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 24' ' ' LEU . 40.1 mt -42.7 -46.26 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.09 -41.23 95.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mm-40 -89.64 19.17 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 38.79 30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.0 mtp180 -94.22 17.6 12.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.41 129.78 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.67 156.2 1.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -11.73 21.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -95.05 -28.32 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.17 -47.48 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -52.98 -22.48 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -90.86 -26.45 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.51 159.74 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.29 111.4 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -52.76 -27.0 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -114.14 48.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HB3' ' N ' ' A' ' 31' ' ' PHE . 2.2 tp -77.07 140.2 40.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.98 -35.2 70.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -60.62 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.13 -50.67 11.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 85.2 mt -54.87 -67.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -39.46 -52.14 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -46.92 -55.78 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.6 t -66.42 -55.14 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.0 -54.66 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.49 -35.38 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.5 mt -84.0 -37.19 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' CD1' HD12 ' A' ' 50' ' ' ILE . 87.8 mt -127.61 73.58 78.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.06 -23.65 13.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.8 -50.43 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 48.9 mt -64.66 165.36 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.35 140.8 15.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 6.9 mt-10 -45.51 -52.12 10.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.69 -44.29 2.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -79.21 -31.85 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.508 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.4 mt -69.8 -35.52 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 34' ' ' ALA . 1.1 tm? -70.44 -54.7 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' LEU . . . -44.63 -53.33 7.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 1.5 m -50.83 -63.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' TYR . 7.8 mt -41.65 -63.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.1 mt-10 -43.21 -62.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -56.86 -27.65 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.564 ' CD2' HG23 ' A' ' 46' ' ' VAL . 27.8 m-85 -102.63 48.33 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 31.5 m-70 38.01 52.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 38.6 m-85 37.46 53.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -117.86 129.08 25.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.93 -56.23 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -41.99 -55.28 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 39' ' ' TYR . 76.9 t -57.24 -69.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 23' ' ' LEU . 74.5 mt -40.1 -52.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.38 -59.38 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 18.6 m-80 -48.88 -67.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.438 HD11 ' CG1' ' A' ' 46' ' ' VAL . 31.4 mt -40.59 -49.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.23 -46.84 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -89.87 20.38 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 tt0 39.92 31.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -96.32 35.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' CD1' HG12 ' A' ' 50' ' ' ILE . 12.2 mt -74.39 129.0 36.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.3 154.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.2 17.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.93 -27.23 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -95.33 -46.67 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -29.51 29.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.7 pt20 -77.98 -40.1 40.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 17.3 mt -46.8 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.93 114.05 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 11.8 mtt-85 -54.31 -28.94 45.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -113.48 42.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.15 127.91 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -52.53 -47.63 66.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -56.68 -57.29 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -40.85 -55.55 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -56.08 -70.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -39.51 -51.73 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.85 -52.9 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' LEU . 75.4 t -66.94 -57.16 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 5.5 ttpt -43.73 -56.28 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.23 -34.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.8 mt -88.86 -39.07 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.9 mt -125.93 74.02 70.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.93 -27.38 10.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -44.05 72.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.87 154.91 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.84 17.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' ILE . 11.1 mt-10 -47.88 -51.34 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.04 -47.96 1.97 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -76.01 -33.7 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 36.4 mt -66.7 -37.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.51 -53.09 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.97 -58.48 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -45.98 -63.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.8 mt -41.39 -63.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.56 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.32 -60.01 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -46.93 -48.1 21.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 65.9 m-85 -90.19 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' TYR . 27.9 m-70 39.91 62.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.37 57.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -116.4 118.53 37.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -57.44 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -42.92 -61.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 49' ' ' ASN . 53.9 t -47.98 -72.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -40.63 -47.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.72 -49.47 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.3 m-80 -58.57 -58.94 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.466 HG12 ' CD1' ' A' ' 55' ' ' LEU . 88.2 mt -48.47 -34.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.5 -40.19 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.22 20.72 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 15.4 mt-10 39.0 38.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -102.86 15.87 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 50' ' ' ILE . 16.6 mt -51.37 120.13 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.95 156.19 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -11.66 21.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -95.68 -27.25 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 mt -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -59.54 -29.46 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -80.65 -34.02 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.44 164.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.74 115.27 9.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -56.46 -20.92 22.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -114.06 26.35 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.87 140.12 43.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.79 -44.85 96.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -50.58 -54.48 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 mt -49.13 -49.58 41.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.9 mt -53.71 -66.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -47.37 -50.77 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -43.8 -55.17 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 80.6 t -65.53 -52.46 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -45.28 -53.77 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.09 -34.63 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 58.3 mt -86.1 -35.41 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' LYS . 90.2 mt -130.23 73.27 81.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -29.68 8.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -50.66 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.0 mt -66.66 165.08 15.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.14 146.15 18.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 21.2 mt-10 -50.04 -50.65 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -39.48 -43.2 2.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 58.1 t80 -80.18 -32.96 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.526 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.5 mt -68.98 -35.29 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.51 -53.29 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.97 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 m -48.11 -58.98 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.0 mt -45.22 -60.83 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.91 -59.21 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -46.59 -50.42 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 70.5 m-85 -87.4 41.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 40.08 64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.603 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' LEU . 60.1 m-85 37.74 66.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 10.3 t0 -125.29 121.99 25.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -60.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.35 -62.01 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 25.5 mt-30 -40.59 -57.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 94.9 t -52.3 -72.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.9 mt -40.42 -45.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -65.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.515 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 m-80 -42.23 -67.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.448 HG12 ' CD1' ' A' ' 55' ' ' LEU . 13.9 mt -42.89 -44.43 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.85 -45.42 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.64 19.57 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mt-10 39.1 35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -105.35 36.57 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 50' ' ' ILE . 12.6 mt -71.44 137.85 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.12 158.66 6.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -7.4 19.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -95.25 -30.38 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.73 -47.69 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -53.01 -32.63 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.9 pt20 -78.23 -40.61 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 11.9 mt -44.3 158.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.66 114.78 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -53.24 -33.86 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -108.8 50.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.5 tp -78.0 141.09 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 ' CZ ' ' A' ' 41' ' ' TYR . 4.5 tt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -49.95 -45.96 51.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -57.24 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -47.93 -53.76 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.2 mt -50.92 -63.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.5 m -49.63 -53.31 24.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 2.5 mt-30 -44.89 -51.15 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.41 -53.38 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -47.01 -49.9 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.36 -28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 19' ' ' GLN . 6.8 mp -99.9 -28.21 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' A' ' 50' ' ' ILE . 95.4 mt -131.29 70.87 82.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.13 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -45.64 -51.23 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.03 167.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.24 141.48 15.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 32' ' ' ILE . 9.3 mt-10 -47.07 -52.35 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.65 -41.74 2.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -81.74 -30.69 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 85.2 mt -71.82 -34.38 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.97 -52.48 19.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.1 -54.65 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -52.11 -60.67 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.8 mt -43.18 -61.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -43.21 -56.95 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.503 ' CG ' HD12 ' A' ' 59' ' ' LEU . 27.4 t80 -51.64 -47.02 63.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 71.2 m-85 -87.56 40.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m170 40.35 57.67 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' CZ ' HD12 ' A' ' 13' ' ' LEU . 55.8 m-85 42.9 57.32 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 14.5 t0 -113.99 121.94 35.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -60.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -56.57 5.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -47.76 -61.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 69.6 t -41.42 -68.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -48.34 -53.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.34 -60.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.519 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 40.4 m-80 -47.9 -68.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 55' ' ' LEU . 20.9 mt -41.53 -46.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.73 19.51 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 38.84 38.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -100.99 23.26 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 50' ' ' ILE . 13.9 mt -59.34 126.37 27.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.4 169.09 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD12 ' CG ' ' A' ' 38' ' ' TYR . 21.4 mt -74.84 -47.44 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 t -57.23 -18.07 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -82.43 -41.32 20.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.27 144.82 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.71 130.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -32.81 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -110.06 51.22 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.3 129.99 37.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 17' ' ' ILE . 5.1 tt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.32 -46.52 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -62.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.3 mt -42.92 -58.22 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 13' ' ' LEU . 95.9 mt -47.54 -66.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -47.24 -51.01 20.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -46.83 -47.04 21.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.06 -54.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 4.9 tttt -46.16 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -44.89 -30.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.0 mt -92.65 -34.11 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.1 mt -129.7 70.59 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.8 -47.53 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 59.4 mt -69.64 162.73 27.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 140.04 14.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' CD ' ' A' ' 21' ' ' LYS . 20.8 mt-10 -44.16 -50.14 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.46 -44.58 2.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -79.06 -32.32 44.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 69.1 mt -69.13 -35.87 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -69.77 -52.85 21.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -56.34 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.52 -56.61 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.2 mt -46.71 -58.3 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.1 -50.05 20.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CG ' HD13 ' A' ' 59' ' ' LEU . 28.3 t80 -60.75 -42.91 98.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.649 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 64.1 m-85 -91.56 41.26 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 13.9 m-70 39.69 62.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' LEU . 59.6 m-85 37.71 55.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 13.5 t0 -112.6 122.12 37.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -59.23 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -43.45 -60.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 74.9 t -42.23 -70.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -45.57 -63.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -41.01 -59.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 11.6 m-80 -46.54 -63.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 55' ' ' LEU . 20.0 mt -40.32 -55.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.7 -43.29 72.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 mm-40 -88.07 16.39 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ASN . 22.5 mt-10 38.62 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 29.5 mtt-85 -82.89 0.12 45.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 50' ' ' ILE . 96.6 mt -48.2 123.16 6.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 60' ' ' SER . . . -51.9 157.71 1.96 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -97.0 -26.19 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD13 ' CG ' ' A' ' 38' ' ' TYR . 8.9 mt -95.95 -48.02 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -58.92 -25.49 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' OE1' ' A' ' 61' ' ' GLN . 1.0 OUTLIER -78.59 -28.29 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.5 mt -62.11 163.2 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 119.9 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 9.9 mtm-85 -59.96 -25.97 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.51 31.88 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tp -58.83 145.42 40.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -41.97 -44.4 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -45.19 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.8 mt -51.83 -55.51 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.2 mt -50.71 -68.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -43.68 -52.81 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -45.17 -53.02 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' LEU . 54.1 t -69.08 -53.61 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -44.89 -54.95 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.17 -32.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 47.4 mt -90.22 -37.14 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt -129.27 72.32 81.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -27.23 10.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.0 -51.87 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.39 158.81 25.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.48 137.9 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' ILE . 15.2 mt-10 -45.85 -50.73 13.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -39.46 -44.71 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 17.7 t80 -78.85 -32.13 45.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 41.7 mt -68.97 -35.41 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.39 -52.62 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.14 -55.95 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 m -49.57 -52.84 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.1 mt -50.17 -60.66 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.4 mt-10 -43.18 -59.65 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -47.52 -49.71 25.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 56.9 m-85 -86.83 43.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 40.69 59.43 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.1 m-85 39.82 55.53 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 15.4 t0 -111.29 120.98 41.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.37 -56.84 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -46.48 -61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 95.8 t -44.75 -68.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -45.66 -53.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.95 -58.74 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.532 ' ND2' ' CZ ' ' A' ' 39' ' ' TYR . 42.6 m-80 -46.47 -66.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.7 mt -40.94 -52.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.23 -47.44 65.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -89.08 17.88 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.6 mm-40 38.88 36.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -101.24 33.79 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -73.42 131.08 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.01 158.14 0.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -8.34 19.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.6 m -94.26 -28.11 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.83 -42.57 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -59.27 -29.56 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -78.82 -37.73 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.11 159.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.27 109.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.63 -32.12 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -112.98 55.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.7 tp -81.73 137.06 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -47.57 -51.27 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 t -54.15 -52.32 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.2 mt -43.52 -54.32 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 84.9 mt -56.17 -68.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -41.16 -51.7 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.27 -56.02 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' LEU . 69.9 t -63.84 -53.33 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -46.29 -52.93 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -46.03 -29.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 50.5 mt -93.54 -35.33 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 50' ' ' ILE . 97.8 mt -131.16 72.45 81.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.57 9.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -45.11 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 47.4 mt -69.55 160.55 31.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.34 136.54 12.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.7 mt-10 -39.96 -51.7 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -38.31 -47.33 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -76.79 -33.26 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 60.1 mt -67.26 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 34' ' ' ALA . 1.5 tm? -68.21 -52.41 34.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.407 ' N ' HD11 ' A' ' 33' ' ' LEU . . . -50.42 -54.76 19.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 m -49.74 -61.42 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.5 mt -43.6 -60.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.5 -55.23 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -53.54 -49.28 67.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 73.0 m-85 -86.65 42.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 39.61 63.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.563 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . 58.8 m-85 37.77 57.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.494 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 11.4 t0 -115.91 122.86 31.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -60.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -60.96 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -42.24 -58.59 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 66.5 t -43.04 -72.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.411 HD13 ' CD1' ' A' ' 23' ' ' LEU . 47.0 mt -47.96 -47.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -54.05 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.481 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 14.3 m-80 -57.83 -60.37 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 24' ' ' LEU . 21.3 mt -46.22 -49.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.2 mt -60.38 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.55 19.15 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 tt0 40.26 33.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 14.3 mtp-105 -94.55 13.2 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mt -44.92 124.57 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.26 161.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.28 21.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -96.05 -30.77 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.2 mt -85.1 -41.39 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 t -59.45 -41.02 88.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -69.54 -38.43 77.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt -47.28 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 109.92 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 27' ' ' LEU . 10.5 mtm180 -49.14 -27.71 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -112.84 39.71 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.2 tp -69.07 140.09 54.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -174.4 91.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -76.76 135.0 38.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.62 128.83 7.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -121.77 120.98 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -96.88 91.32 5.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.76 -102.34 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.0 ttp 55.16 76.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.6 t -174.48 80.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.54 -84.67 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 t -78.15 -62.94 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -40.08 -56.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.79 -54.97 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.91 -50.46 61.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -47.2 -57.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.5 mt -44.96 -63.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 97.6 mt -41.8 -69.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -40.93 -48.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -60.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 79.1 t -61.0 -54.49 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 6.1 ttpt -44.18 -54.94 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.06 -34.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' VAL . 59.4 mt -89.57 -37.76 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 50' ' ' ILE . 96.7 mt -128.38 73.23 80.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.02 -30.71 6.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.78 -50.9 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 57.0 mt -64.55 154.76 35.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 142.97 19.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' CD ' ' A' ' 21' ' ' LYS . 14.4 mt-10 -47.36 -50.67 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -39.55 -44.43 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.419 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 36.7 t80 -79.22 -32.11 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' GLU . 40.3 mt -69.31 -35.59 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' HG ' ' NH1' ' A' ' 68' ' ' ARG . 1.5 tm? -70.27 -52.69 21.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -55.32 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LEU . 5.5 m -49.27 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' TYR . 4.9 mt -40.2 -59.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.6 mt-10 -45.56 -50.52 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -68.44 -24.77 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.628 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 37.6 m-85 -103.13 47.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' TYR . 29.1 m-70 39.5 43.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 42.0 m-85 47.0 50.47 13.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.48 129.93 24.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.19 -51.0 65.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.86 -62.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.68 -65.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.1 mt -51.94 -58.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -41.61 -53.22 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.0 m-80 -56.03 -60.79 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 24' ' ' LEU . 90.3 mt -48.11 -55.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.05 -42.1 76.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 2.3 mm-40 -88.45 17.0 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.7 mt-10 38.76 31.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' GLU . 13.2 mtp85 -93.3 16.23 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 50' ' ' ILE . 23.6 mt -53.96 124.57 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.1 161.09 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.5 21.39 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -93.96 -25.58 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.0 mt -93.22 -48.3 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -54.36 -22.4 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -91.24 -34.88 14.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mt -47.28 164.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.83 106.89 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.97 -26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -114.36 45.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.1 tp -74.15 138.31 43.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -99.6 169.13 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' NH1' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -101.04 122.09 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.39 114.87 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 60.1 156.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.49 121.3 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m 59.62 91.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.15 118.74 0.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.112 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -151.17 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.17 103.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.08 -128.89 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.93 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -178.52 64.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.88 -87.37 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -80.15 -62.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.54 -54.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -43.01 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.86 -45.39 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -57.65 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 mt -53.17 -57.66 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 69.0 mt -43.5 -66.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -53.03 -53.05 55.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -38.82 -56.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 43' ' ' PRO . 91.5 t -64.14 -54.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 8.5 ttpt -43.95 -55.43 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.86 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.2 mt -90.88 -38.95 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 50' ' ' ILE . 86.8 mt -127.34 72.78 77.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.51 9.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.8 -53.05 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.41 168.23 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.59 142.07 15.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' ILE . 56.7 mt-10 -44.56 -52.14 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.0 -44.22 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -79.4 -30.99 42.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 81.0 mt -70.52 -36.33 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.59 -53.34 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.97 -56.25 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 5.0 m -48.11 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 41' ' ' TYR . 14.6 mt -40.07 -64.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -38.55 -60.51 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -59.93 -39.1 84.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 46' ' ' VAL . 34.0 m-85 -87.86 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.5 m-70 37.84 52.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 44.2 m-85 37.47 57.27 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.75 128.77 24.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HB3' ' CG2' ' A' ' 20' ' ' VAL . 18.5 Cg_endo -74.94 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.12 -45.37 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -56.34 -59.68 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG21 ' CD2' ' A' ' 39' ' ' TYR . 55.7 t -48.15 -65.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' ASN . 51.6 mt -46.33 -63.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' ILE . 3.4 m-80 -40.16 -62.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 10.0 m-80 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 55' ' ' LEU . 21.8 mt -47.18 -57.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mt -48.48 -47.45 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.8 17.99 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.7 mm-40 38.71 39.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.29 27.06 7.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 50' ' ' ILE . 16.4 mt -65.67 124.11 21.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.16 168.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -42.86 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -62.55 -48.42 79.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.34 -47.14 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t -54.36 -29.1 47.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -72.3 -41.52 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.68 133.29 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -42.91 127.65 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -58.28 -42.1 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 63' ' ' ASP . 52.7 p-10 -103.61 52.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -78.28 139.9 38.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -101.66 169.04 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -103.28 -54.72 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -113.67 110.84 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 70.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 112.31 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 180.0 153.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.04 82.77 1.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 63.39 129.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -101.02 100.19 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.24 -125.15 6.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -177.38 90.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.8 p -179.57 127.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.61 -132.73 11.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -46.79 -36.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -52.16 -51.52 57.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -53.19 -60.89 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.69 -37.9 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -56.46 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.3 mt -45.92 -46.03 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 68.9 mt -59.89 -66.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -45.22 -48.13 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.73 -49.48 7.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.4 t -72.28 -54.39 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -44.79 -53.82 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.47 -34.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 53.5 mt -90.43 -39.36 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.9 mt -125.61 74.41 69.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.01 -29.37 8.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -47.0 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.25 155.86 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.22 151.04 22.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 15.7 mt-10 -56.33 -50.31 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -40.66 -41.96 2.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -81.22 -30.97 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 33.6 mt -71.16 -34.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.405 ' HG ' ' NH1' ' A' ' 68' ' ' ARG . 1.4 tm? -71.26 -52.42 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.36 -53.82 16.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' TYR . 4.1 m -51.19 -61.64 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 6.4 mt -43.82 -62.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 4.5 mt-10 -40.42 -48.07 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -71.41 -34.78 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.563 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 36.3 m-85 -91.47 47.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 89.0 m-70 39.05 47.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 43.0 m-85 43.52 43.84 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -111.19 131.04 22.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -55.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.1 -53.2 13.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -47.3 -57.27 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 39' ' ' TYR . 89.7 t -48.48 -66.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.02 -61.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -40.64 -54.44 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.563 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.8 m-80 -55.8 -69.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 55' ' ' LEU . 21.6 mt -40.43 -44.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.04 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -80.16 3.36 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER 52.13 31.54 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -90.71 6.91 42.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 50' ' ' ILE . 15.6 mt -40.84 132.61 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 160.01 2.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.13 21.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 m -94.31 -28.85 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.24 -44.15 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -56.24 -18.23 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -92.92 -30.5 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.1 mt -50.99 156.89 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.2 110.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -24.03 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -117.55 46.59 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.1 tp -75.94 132.72 40.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -92.85 169.05 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' NH1' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -100.65 -58.47 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -130.49 141.3 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.0 95.89 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.56 90.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 62.04 84.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 -79.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -134.21 121.64 21.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -148.24 123.8 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.93 79.27 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -131.67 148.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p 177.99 145.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.5 -94.66 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -76.02 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -43.86 -57.88 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 41' ' ' TYR . 4.1 tt -40.57 -51.01 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -51.14 -53.64 32.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -51.29 -53.02 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -46.33 -38.35 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.456 HD13 ' CD2' ' A' ' 13' ' ' LEU . 90.2 mt -73.46 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -42.57 -47.23 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -47.8 -58.84 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.9 t -65.41 -53.79 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.537 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.08 -57.03 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -44.48 -35.31 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' VAL . 37.7 mt -83.3 -38.0 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.1 mt -126.09 73.91 71.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.4 16.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -57.77 -43.7 85.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.75 167.41 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.98 144.2 16.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 20.3 mt-10 -48.24 -51.4 25.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.13 -44.65 2.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 29.5 t80 -78.97 -32.89 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.537 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 63.4 mt -68.42 -37.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.93 -52.51 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.37 -53.05 32.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.1 m -51.98 -51.5 56.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' CD1' HG12 ' A' ' 17' ' ' ILE . 15.3 mt -52.02 -61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.93 -48.06 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.46 -43.37 90.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.639 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 39.3 m-85 -87.37 41.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 39.91 55.37 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 13' ' ' LEU . 54.7 m-85 43.77 48.29 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -111.39 119.76 44.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -49.2 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.59 -49.91 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -52.22 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.45 HG21 ' CD2' ' A' ' 39' ' ' TYR . 62.0 t -40.41 -60.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 95.5 mt -57.38 -60.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.2 m-80 -40.39 -53.02 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.639 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 27.9 m-80 -57.72 -64.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.427 HG12 ' CD1' ' A' ' 55' ' ' LEU . 31.3 mt -44.14 -38.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.85 -41.12 65.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 mm-40 -90.07 20.44 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 39.1 34.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 13.0 mtp85 -100.06 23.91 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' CD1' HG12 ' A' ' 50' ' ' ILE . 19.1 mt -61.93 121.2 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.4 157.34 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.16 18.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -30.13 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.2 mt -91.2 -42.13 10.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -56.12 -30.76 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -79.39 -35.17 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -51.72 157.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.51 115.18 4.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.31 -24.22 18.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -117.43 41.26 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HB3' ' N ' ' A' ' 31' ' ' PHE . 5.3 tp -66.96 151.43 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.07 169.03 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.92 -61.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -62.65 95.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.21 138.9 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -70.75 125.98 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -173.78 110.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 130.42 10.32 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.14 163.41 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -93.42 153.05 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.046 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.16 -148.33 33.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -152.24 89.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -173.21 69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -93.4 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.37 -65.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -40.16 -59.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 tt -40.75 -57.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.26 -49.96 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -48.33 -61.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -41.56 -51.72 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 89.7 mt -56.46 -68.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -43.93 -48.26 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -46.27 -50.96 15.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 24' ' ' LEU . 93.9 t -69.3 -55.39 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.28 -53.88 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -45.37 -34.64 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' VAL . 40.7 mt -87.36 -36.31 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 50' ' ' ILE . 77.4 mt -125.68 74.54 70.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -42.37 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 46.6 mt -76.09 165.8 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.94 141.52 15.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 12.1 mt-10 -46.3 -50.37 16.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 0.741 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -39.69 -44.64 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.42 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 37.5 t80 -79.0 -31.6 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 66.2 mt -69.74 -36.05 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.7 -52.06 28.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.17 -55.27 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . 16.7 m -50.38 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.9 mt -40.24 -58.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 20.8 mt-10 -45.53 -45.42 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.9 -32.44 65.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -94.63 45.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 39.05 44.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 66.1 m-85 45.8 68.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.3 t0 -132.09 125.59 20.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -26.04 11.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -54.27 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -49.39 -51.22 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.9 t -53.42 -57.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.7 -65.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.33 -48.65 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 m-80 -58.25 -70.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 55' ' ' LEU . 19.1 mt -41.25 -41.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.16 -49.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -79.18 2.98 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 mp0 53.3 28.52 7.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -94.04 20.48 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 50' ' ' ILE . 24.0 mt -54.08 123.42 12.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.09 156.22 0.48 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.84 21.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 m -91.81 -29.62 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 mt -90.83 -43.04 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 t -57.66 -29.43 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 -32.82 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.27 159.39 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.0 112.47 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 8.8 mtm180 -51.9 -27.29 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -113.43 44.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 30' ' ' GLY . 5.0 tp -71.24 138.59 49.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -95.58 168.97 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -75.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.89 156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.16 170.34 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -95.79 161.49 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.05 160.34 21.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.06 146.03 0.13 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.428 1.08 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.2 p -162.37 114.26 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.722 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -148.22 -64.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.91 146.27 6.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 41' ' ' TYR . 2.3 mpp? -51.59 121.23 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.21 -64.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 108.292 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.8 -73.46 0.21 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -74.07 -60.38 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.9 -57.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.08 -57.55 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -49.6 -39.35 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -58.83 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -46.81 -50.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 83.9 mt -52.3 -67.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -46.53 -52.5 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -41.2 -44.44 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.1 t -72.28 -55.37 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HE2' ' CD1' ' A' ' 32' ' ' ILE . 1.9 ttmm -47.29 -49.01 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -46.05 -26.08 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 21' ' ' LYS . 37.6 mt -100.75 -30.95 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.1 mt -128.22 72.95 79.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.78 21.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.22 -47.71 67.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -72.24 167.45 20.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.94 145.32 16.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.8 mt-10 -46.46 -52.97 12.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 0.73 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.6 -45.77 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -77.8 -31.51 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 79.5 mt -69.43 -37.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.83 -52.29 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.83 -55.37 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 20.1 m -52.56 -64.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 17' ' ' ILE . 6.9 mt -40.5 -63.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -41.9 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.469 ' CG ' HD13 ' A' ' 59' ' ' LEU . 49.8 t80 -51.79 -46.88 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 59.5 m-85 -87.43 43.57 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 5.7 m170 39.94 59.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 56.6 m-85 37.78 55.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -113.23 116.5 46.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.48 -59.05 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 35' ' ' CYS . 11.3 t -47.29 -58.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.1 mt -54.78 -62.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -40.28 -57.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 45.8 m-80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 55' ' ' LEU . 21.9 mt -43.79 -47.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -59.11 -46.9 87.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.12 21.66 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mt-10 39.45 33.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -100.0 39.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 50' ' ' ILE . 12.6 mt -78.93 127.47 32.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.04 158.61 0.54 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 18.3 Cg_endo -74.98 -22.02 15.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -81.63 -38.49 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD13 ' CG ' ' A' ' 38' ' ' TYR . 12.2 mt -82.31 -46.05 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.0 t -56.12 -23.88 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 7.7 mm100 -74.67 -38.79 62.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.9 145.26 25.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -50.27 120.28 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -51.74 -36.84 48.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -107.48 50.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.74 139.08 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -97.04 169.09 10.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -92.96 -56.27 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 63.76 79.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.3 ttt -140.81 93.43 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.53 -58.41 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -71.64 108.05 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 77.91 0.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.75 102.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 90.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 60.5 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -148.16 136.25 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 0.802 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.64 63.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.98 -92.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 t -75.52 -61.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -44.23 -61.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -43.87 -55.16 4.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.7 -46.58 81.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.57 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -46.08 -44.42 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -65.55 -64.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 p -41.58 -50.87 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -47.63 -53.01 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' LEU . 82.9 t -67.63 -55.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.7 -49.02 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.63 -32.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . 69.2 mt -91.03 -32.92 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 83.0 mt -129.96 70.64 82.16 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -21.67 15.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -50.57 73.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 74.3 mt -64.87 153.76 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.36 134.01 12.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 10.3 mt-10 -43.17 -47.93 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.25 -45.86 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -77.05 -30.55 55.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 73.0 mt -70.51 -37.48 70.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 34' ' ' ALA . 1.4 tm? -68.11 -53.86 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' HD12 ' A' ' 33' ' ' LEU . . . -46.94 -57.65 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 m -46.68 -63.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.7 mt -41.35 -59.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.526 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -43.18 -59.01 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -52.79 -45.21 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.643 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 66.4 m-85 -87.58 40.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' TYR . 11.7 m-70 40.02 58.41 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 59.4 m-85 39.73 58.7 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 66.7 m-20 -115.92 120.62 35.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.17 -49.44 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.433 ' NE2' ' OD2' ' A' ' 42' ' ' ASP . 52.2 mt-30 -55.71 -60.14 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 99.4 t -42.23 -66.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.99 -51.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.4 -55.18 7.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.643 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 21.7 m-80 -54.55 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 55' ' ' LEU . 19.6 mt -40.88 -49.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.72 -48.22 75.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.1 mm-40 -89.82 20.91 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER 38.75 37.1 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -103.24 37.35 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' CD1' HG12 ' A' ' 50' ' ' ILE . 11.4 mt -75.36 131.71 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.51 156.4 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.47 20.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -92.73 -27.02 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -94.41 -47.13 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -53.66 -20.16 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.0 pt20 -90.65 -34.47 15.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 15.2 mt -50.06 162.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 120.15 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtt180 -58.61 -28.95 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -110.67 43.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.38 145.82 49.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.52 168.99 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' NH2' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -94.88 119.51 33.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 58.2 96.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 ttt -172.75 165.99 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -171.19 86.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.46 149.85 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 61.35 2.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 90.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -135.27 -58.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.2 -106.8 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp 44.05 85.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.9 p -179.2 152.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 108.329 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.05 -90.84 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.23 -64.37 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.01 -54.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' A' ' 17' ' ' ILE . 5.4 tt -46.14 -49.41 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -58.66 -41.77 86.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -61.82 -56.14 22.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' TYR . 88.9 mt -40.59 -52.32 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 77.3 mt -58.37 -69.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -39.43 -46.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -52.11 -56.17 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.57 -53.14 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -47.01 -51.68 16.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.5 -26.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 47' ' ' ILE . 57.5 mt -98.37 -34.98 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -129.52 70.48 81.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.96 -34.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -53.57 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 39.4 mt -63.13 170.09 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.34 147.26 18.32 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.1 mt-10 -52.02 -50.92 60.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.85 -44.59 1.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.8 t80 -79.09 -33.51 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' GLU . 70.3 mt -68.07 -36.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -69.27 -52.67 25.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.36 -56.29 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LEU . 14.0 m -49.13 -64.25 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 11.0 mt -40.46 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 41' ' ' TYR . 1.8 mt-10 -41.69 -58.11 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -53.55 -47.05 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 65.8 m-85 -86.46 45.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' TYR . 60.2 m-70 39.91 57.54 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 37' ' ' GLU . 45.5 m-85 38.18 48.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -104.35 115.24 63.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.58 9.9 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -43.41 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 24.1 mt-30 -65.63 -56.9 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 t -40.53 -49.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 23' ' ' LEU . 91.9 mt -68.07 -59.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.03 -49.31 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 12.9 m120 -51.7 -66.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 55' ' ' LEU . 21.4 mt -49.97 -49.39 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -53.49 -49.18 68.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.67 14.36 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 45.61 29.34 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.352 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -92.39 23.32 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 50' ' ' ILE . 16.3 mt -56.3 126.03 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.89 2.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.91 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 m -95.16 -29.82 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.5 mt -93.42 -46.28 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -54.57 -21.38 10.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -90.9 -25.03 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.8 168.27 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -70.25 104.7 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.7 mtm180 -44.35 -31.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -110.71 45.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 63' ' ' ASP . 1.3 tp -71.19 140.58 50.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.5 168.9 9.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 121.66 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 75.72 128.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.74 170.55 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 71.78 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 t -175.59 -57.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.31 122.64 0.88 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -167.79 117.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -169.52 104.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.2 64.51 1.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 87.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 140.0 4.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -126.69 7.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 m -49.96 -37.54 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.82 -53.24 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 tt -52.71 -48.46 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.94 -44.66 95.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.7 -53.28 32.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -48.1 -50.35 28.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.444 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 83.9 mt -55.69 -70.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.0 t -42.72 -51.65 5.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -42.95 -49.17 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 86.7 t -72.09 -53.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' LEU . 5.7 tttt -45.45 -53.23 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.17 -33.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 57.7 mt -92.43 -34.49 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.3 mt -128.39 72.47 80.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.0 Cg_endo -75.08 -29.6 7.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -49.92 -46.61 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 mt -70.06 163.1 26.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.15 145.07 17.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 27.3 mt-10 -48.67 -52.02 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.39 -43.53 2.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -80.23 -30.29 38.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' GLU . 38.1 mt -71.43 -35.4 56.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.26 -52.48 22.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -54.22 15.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 6.2 m -51.9 -62.31 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.8 mt -41.98 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -41.78 -60.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD1' HD11 ' A' ' 59' ' ' LEU . 41.0 t80 -51.64 -45.33 63.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 48.0 m-85 -88.1 43.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' TYR . 59.2 m-70 40.01 57.56 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.9 m-85 39.15 57.15 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' N ' HD21 ' A' ' 36' ' ' LEU . 63.4 m-20 -115.7 117.63 39.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -46.08 89.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -55.85 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.485 HG23 ' CD2' ' A' ' 39' ' ' TYR . 37.9 t -46.57 -66.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -44.08 -59.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -46.19 -56.77 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 13.5 m-80 -50.67 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 46' ' ' VAL . 21.4 mt -42.39 -47.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.19 -43.38 95.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mm-40 -87.72 14.16 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 21.4 mt-10 42.62 33.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -101.16 31.84 3.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' CD1' HG12 ' A' ' 50' ' ' ILE . 13.4 mt -67.16 126.22 28.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.57 160.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.18 12.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -82.09 -30.87 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 38' ' ' TYR . 21.7 mt -85.56 -47.41 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -55.19 -27.99 49.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -70.18 -40.6 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.47 132.28 39.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -42.21 123.65 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -53.76 -32.38 52.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -111.15 52.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.07 139.53 36.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.96 169.03 9.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.96 123.44 47.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.52 123.28 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.6 tpt -139.89 125.99 19.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.14 -58.7 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -129.0 149.05 50.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.5 76.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -114.43 84.97 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -159.15 86.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.36 59.34 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.499 ' HE3' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -63.61 98.02 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 0.0 110.98 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.1 p -174.7 60.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.13 -136.44 3.81 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 m -43.02 -32.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.41 -54.76 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -48.7 -53.88 17.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.35 -46.42 89.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -58.94 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.8 mt -41.59 -53.85 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 71.9 mt -48.7 -71.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -47.81 23.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.86 -55.57 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.91 -54.34 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 12.0 ttpt -45.49 -51.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 -33.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 ' CD1' HD13 ' A' ' 47' ' ' ILE . 54.9 mt -92.16 -34.36 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -128.92 72.15 81.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.03 -33.77 4.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.15 -51.51 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 67.2 mt -65.09 161.72 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.42 145.71 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 16.1 mt-10 -51.04 -51.51 52.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.83 -44.08 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -79.48 -31.43 42.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 42.7 mt -69.88 -34.6 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.62 -52.63 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.8 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -49.21 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' TYR . 7.2 mt -40.45 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.5 mt-10 -42.41 -60.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -51.81 -44.85 63.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CZ ' ' CG ' ' A' ' 49' ' ' ASN . 65.1 m-85 -88.47 43.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 86.7 m-70 40.05 58.71 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.501 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.7 m-85 37.7 54.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.491 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 71.4 m-20 -110.55 124.98 31.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.72 -51.48 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -51.28 -61.97 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 88.2 t -40.77 -68.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.428 HD13 ' CD1' ' A' ' 23' ' ' LEU . 73.0 mt -47.26 -59.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -44.12 -58.28 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.543 ' CG ' ' CZ ' ' A' ' 39' ' ' TYR . 10.0 m120 -45.06 -65.21 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 55' ' ' LEU . 24.4 mt -49.19 -46.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.3 mt -55.25 -49.62 71.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 19.02 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.58 34.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -97.69 36.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' CD1' HG12 ' A' ' 50' ' ' ILE . 12.1 mt -76.42 133.73 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.27 161.0 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.42 21.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.49 -22.74 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.2 -48.11 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -21.51 38.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.39 -31.3 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.33 162.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.88 112.82 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 9.1 mtm180 -49.59 -35.65 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -110.17 54.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tp -80.95 131.54 35.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -94.91 169.07 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.84 124.93 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.83 161.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.5 ptp -150.93 175.01 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -166.11 125.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -177.63 156.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.3 -90.49 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 p -92.63 92.53 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -147.64 104.99 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.22 130.68 2.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ttt 57.56 160.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.025 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.03 78.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.29 -95.12 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -77.73 -65.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.06 -54.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -44.75 -57.07 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -51.43 -46.63 63.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -53.16 57.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.6 mt -47.54 -57.55 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -45.05 -67.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.4 m -50.59 -54.21 24.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.99 -53.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -65.47 -56.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.5 tttp -44.11 -51.97 7.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -41.39 -35.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.4 -31.72 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 73.2 mt -127.42 72.56 77.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.7 -55.55 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 mt -60.91 159.72 10.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.8 146.23 18.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 32.2 mt-10 -50.45 -51.66 44.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.32 -42.04 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.415 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 42.2 t80 -81.4 -33.4 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 77.7 mt -68.99 -34.06 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.56 -52.38 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.0 -55.78 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' TYR . 5.7 m -48.78 -66.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' TYR . 11.4 mt -40.0 -55.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -49.7 -45.15 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.512 ' CG ' HD11 ' A' ' 59' ' ' LEU . 10.1 t80 -76.05 -19.46 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 38.6 m-85 -109.0 47.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 27.3 m170 38.06 51.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.54 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 50.5 m-85 36.95 61.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' N ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -127.8 127.88 23.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -46.55 -47.37 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 70.3 mt-30 -57.23 -60.95 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.6 t -40.47 -62.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.465 ' CG2' HD11 ' A' ' 51' ' ' LEU . 97.6 mt -53.4 -58.39 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -44.41 -49.17 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 13.8 m120 -54.87 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mt -48.95 -56.86 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 47' ' ' ILE . 6.4 mt -50.19 -46.75 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ARG . 4.3 mm-40 -88.9 18.36 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.2 mt-10 38.88 30.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.4 mtp180 -89.5 17.42 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.51 136.71 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.92 163.94 19.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -12.82 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.9 -33.56 12.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 38' ' ' TYR . 16.2 mt -83.5 -39.75 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t -59.22 -34.85 72.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -79.24 -32.33 43.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -50.95 154.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.99 105.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -44.96 -34.46 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.03 56.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.415 ' HB3' ' N ' ' A' ' 31' ' ' PHE . 1.5 tp -83.0 141.28 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.87 168.97 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' HA ' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.53 -54.39 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.92 97.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -149.05 173.36 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -133.18 145.41 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -154.65 120.66 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.64 68.63 0.98 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 m -73.83 103.18 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 0.737 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 p -80.36 -58.33 3.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.7 164.41 27.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttt -59.8 162.27 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 t 68.67 88.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.05 -96.8 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -77.45 -64.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.94 -51.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tt -50.27 -61.08 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -41.73 -43.57 2.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -48.92 -56.65 8.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -52.17 -60.69 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 89.5 mt -44.24 -69.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.5 p -44.9 -56.1 4.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -43.26 -56.12 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.5 t -65.28 -53.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.18 -56.19 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -44.19 -30.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' VAL . 45.0 mt -89.31 -38.02 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 50' ' ' ILE . 96.8 mt -128.42 72.09 80.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -25.29 12.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -54.96 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.06 163.47 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.66 141.16 15.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 9.8 mt-10 -49.63 -50.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.84 -45.77 2.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.41 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 51.5 t80 -77.87 -30.89 51.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 42.5 mt -69.72 -36.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD11 ' NH1' ' A' ' 68' ' ' ARG . 1.1 tm? -68.55 -53.43 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.1 -54.31 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 m -49.31 -62.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.8 mt -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.506 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.3 mt-10 -43.94 -51.63 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -63.01 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 64.9 m-85 -87.29 42.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 39.95 56.41 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.7 m-85 39.39 52.13 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -110.87 124.16 33.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.427 1.751 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.37 -49.64 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 46.7 mt-30 -53.02 -61.55 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.3 t -41.02 -65.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -50.69 -55.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.76 -55.69 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' TYR . 8.5 m120 -50.75 -65.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 55' ' ' LEU . 20.0 mt -45.73 -53.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.77 -48.15 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.07 16.39 6.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.69 33.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -98.05 32.85 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 50' ' ' ILE . 16.3 mt -71.13 121.15 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.64 162.08 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 18.3 Cg_endo -75.03 -34.43 3.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -68.54 -26.07 65.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 mt -95.2 -43.62 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -58.16 -16.76 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 14.9 mm-40 -83.18 -41.47 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.0 mt -50.77 148.87 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -56.06 120.24 7.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -54.67 -27.3 39.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -115.21 57.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HB3' ' N ' ' A' ' 31' ' ' PHE . 1.5 tp -86.66 142.54 28.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -98.1 168.98 9.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' NH1' HD11 ' A' ' 33' ' ' LEU . 1.4 mmp_? -103.47 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -49.89 141.81 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 57.34 165.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -63.43 169.25 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.19 156.53 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.44 -93.32 2.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -82.89 103.91 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t 67.66 112.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.79 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -155.78 91.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.75 64.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' GLU . . . 174.19 -138.79 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 m -42.02 -29.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 10' ' ' GLY . 1.3 mm-40 -58.74 -52.42 65.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.66 -46.8 67.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.66 -42.04 95.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -55.18 -55.51 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 41' ' ' TYR . 77.6 mt -46.97 -43.35 19.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 93.3 mt -60.57 -58.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -55.67 -40.51 72.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -49.26 -51.38 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -69.7 -54.81 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 ttpp -46.28 -50.07 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -43.15 -30.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD11 ' N ' ' A' ' 23' ' ' LEU . 7.4 mp -100.34 -30.28 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 50' ' ' ILE . 88.8 mt -128.6 73.46 80.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.67 11.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.0 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 75.9 mt -59.5 153.99 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.8 138.42 14.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 21.5 mt-10 -43.07 -51.71 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.13 -46.03 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.7 t80 -77.71 -34.3 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 76.1 mt -66.75 -36.62 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.27 -53.32 20.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.49 -55.22 11.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . 12.3 m -49.62 -64.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' TYR . 17.3 mt -40.38 -63.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.5 mt-10 -41.85 -56.62 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -61.07 -37.91 84.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CD2' HG22 ' A' ' 46' ' ' VAL . 43.6 m-85 -91.38 46.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 10.1 m170 37.69 52.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.77 66.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.05 122.16 20.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -22.27 14.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.74 -46.54 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 7.5 mt-30 -57.17 -53.79 54.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 39' ' ' TYR . 55.7 t -49.58 -51.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.19 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -40.2 -52.88 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.569 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 6.7 m-80 -57.61 -66.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 24' ' ' LEU . 40.1 mt -42.7 -46.26 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.09 -41.23 95.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mm-40 -89.64 19.17 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 38.79 30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.0 mtp180 -94.22 17.6 12.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.41 129.78 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.67 156.2 1.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -11.73 21.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -95.05 -28.32 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.17 -47.48 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -52.98 -22.48 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -90.86 -26.45 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.51 159.74 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.29 111.4 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -52.76 -27.0 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -114.14 48.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HB3' ' N ' ' A' ' 31' ' ' PHE . 2.2 tp -77.07 140.2 40.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -100.34 168.98 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HA ' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -107.03 121.44 44.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.95 143.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.05 178.01 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -93.19 147.53 22.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 0.777 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -122.89 85.93 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.2 55.93 14.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 54.72 89.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -138.28 141.88 39.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 153.37 5.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.534 ' HE1' ' CE1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER 54.64 96.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -176.03 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.62 -128.56 3.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.5 m -45.99 -42.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -45.41 -44.64 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.403 ' HG ' ' CE ' ' A' ' 8' ' ' MET . 6.7 tt -59.75 -55.52 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.98 -35.2 70.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -60.62 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.13 -50.67 11.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 85.2 mt -54.87 -67.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -39.46 -52.14 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -46.92 -55.78 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.6 t -66.42 -55.14 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.0 -54.66 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.49 -35.38 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.5 mt -84.0 -37.19 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' CD1' HD12 ' A' ' 50' ' ' ILE . 87.8 mt -127.61 73.58 78.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.06 -23.65 13.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.8 -50.43 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 48.9 mt -64.66 165.36 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.35 140.8 15.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 6.9 mt-10 -45.51 -52.12 10.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 68' ' ' ARG . . . -39.69 -44.29 2.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -79.21 -31.85 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.508 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.4 mt -69.8 -35.52 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 34' ' ' ALA . 1.1 tm? -70.44 -54.7 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' LEU . . . -44.63 -53.33 7.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 1.5 m -50.83 -63.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' TYR . 7.8 mt -41.65 -63.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.1 mt-10 -43.21 -62.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -56.86 -27.65 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.564 ' CD2' HG23 ' A' ' 46' ' ' VAL . 27.8 m-85 -102.63 48.33 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 31.5 m-70 38.01 52.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 38.6 m-85 37.46 53.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -117.86 129.08 25.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.93 -56.23 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -41.99 -55.28 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 39' ' ' TYR . 76.9 t -57.24 -69.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 23' ' ' LEU . 74.5 mt -40.1 -52.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.38 -59.38 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 18.6 m-80 -48.88 -67.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.438 HD11 ' CG1' ' A' ' 46' ' ' VAL . 31.4 mt -40.59 -49.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.23 -46.84 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -89.87 20.38 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 tt0 39.92 31.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -96.32 35.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' CD1' HG12 ' A' ' 50' ' ' ILE . 12.2 mt -74.39 129.0 36.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.3 154.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.2 17.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.93 -27.23 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -95.33 -46.67 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -29.51 29.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.7 pt20 -77.98 -40.1 40.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 17.3 mt -46.8 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.93 114.05 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 11.8 mtt-85 -54.31 -28.94 45.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -113.48 42.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.15 127.91 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.69 169.16 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -122.17 -54.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -44.98 141.91 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mmt -124.95 147.2 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 63.58 108.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -77.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.49 -154.78 16.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -135.43 148.25 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -69.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.16 -99.82 0.74 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.61 102.53 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 p 175.85 167.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -104.28 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.98 -63.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -40.46 -55.7 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.44 -57.02 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -52.53 -47.63 66.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -56.68 -57.29 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -40.85 -55.55 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -56.08 -70.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -39.51 -51.73 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.85 -52.9 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' LEU . 75.4 t -66.94 -57.16 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 5.5 ttpt -43.73 -56.28 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.23 -34.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.8 mt -88.86 -39.07 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.9 mt -125.93 74.02 70.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.93 -27.38 10.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -44.05 72.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.87 154.91 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.84 17.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' ILE . 11.1 mt-10 -47.88 -51.34 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.04 -47.96 1.97 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -76.01 -33.7 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 36.4 mt -66.7 -37.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -68.51 -53.09 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.97 -58.48 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -45.98 -63.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.8 mt -41.39 -63.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.56 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.32 -60.01 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -46.93 -48.1 21.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 65.9 m-85 -90.19 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' TYR . 27.9 m-70 39.91 62.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.37 57.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -116.4 118.53 37.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -57.44 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -42.92 -61.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 49' ' ' ASN . 53.9 t -47.98 -72.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -40.63 -47.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.72 -49.47 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.3 m-80 -58.57 -58.94 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.466 HG12 ' CD1' ' A' ' 55' ' ' LEU . 88.2 mt -48.47 -34.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 mt -77.5 -40.19 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.22 20.72 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 15.4 mt-10 39.0 38.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -102.86 15.87 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 50' ' ' ILE . 16.6 mt -51.37 120.13 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.95 156.19 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -11.66 21.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -95.68 -27.25 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 mt -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -59.54 -29.46 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -80.65 -34.02 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -50.44 164.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.74 115.27 9.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -56.46 -20.92 22.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -114.06 26.35 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.87 140.12 43.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -100.83 169.08 9.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.7 152.66 39.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 ttp -171.67 166.55 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -119.63 155.87 31.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.33 100.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.9 -151.37 7.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -116.84 150.02 39.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.16 117.8 4.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.4 74.33 0.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ttp -80.74 85.92 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.96 87.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.09 -141.1 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 m -42.95 -36.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.747 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.65 -53.62 49.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -48.94 -53.79 18.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.79 -44.85 96.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -50.58 -54.48 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 mt -49.13 -49.58 41.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 94.9 mt -53.71 -66.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -47.37 -50.77 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -43.8 -55.17 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 80.6 t -65.53 -52.46 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -45.28 -53.77 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.09 -34.63 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 58.3 mt -86.1 -35.41 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' LYS . 90.2 mt -130.23 73.27 81.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -29.68 8.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -50.66 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.0 mt -66.66 165.08 15.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.14 146.15 18.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 21.2 mt-10 -50.04 -50.65 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -39.48 -43.2 2.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 58.1 t80 -80.18 -32.96 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.526 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.5 mt -68.98 -35.29 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.51 -53.29 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.97 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 m -48.11 -58.98 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.0 mt -45.22 -60.83 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.91 -59.21 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -46.59 -50.42 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 70.5 m-85 -87.4 41.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 40.08 64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.603 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' LEU . 60.1 m-85 37.74 66.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 10.3 t0 -125.29 121.99 25.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -60.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.35 -62.01 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.407 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 25.5 mt-30 -40.59 -57.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 94.9 t -52.3 -72.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.9 mt -40.42 -45.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -65.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.515 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 m-80 -42.23 -67.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.448 HG12 ' CD1' ' A' ' 55' ' ' LEU . 13.9 mt -42.89 -44.43 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.85 -45.42 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.64 19.57 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mt-10 39.1 35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -105.35 36.57 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 50' ' ' ILE . 12.6 mt -71.44 137.85 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.12 158.66 6.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -7.4 19.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -95.25 -30.38 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.73 -47.69 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -53.01 -32.63 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.9 pt20 -78.23 -40.61 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 11.9 mt -44.3 158.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.66 114.78 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -53.24 -33.86 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -108.8 50.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.5 tp -78.0 141.09 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.41 169.09 9.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' NH2' ' OE2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -99.9 -55.63 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.33 139.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.9 mtt -134.53 167.39 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.15 129.26 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m 63.47 -89.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.76 -163.76 13.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.1 p -109.27 76.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -131.74 133.99 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.51 58.0 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttp -84.11 88.44 7.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.9 t -174.42 81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.33 -86.31 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 t -81.1 -63.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -40.06 -54.01 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 ' CZ ' ' A' ' 41' ' ' TYR . 4.5 tt -46.58 -57.26 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -49.95 -45.96 51.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -57.24 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -47.93 -53.76 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.2 mt -50.92 -63.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.5 m -49.63 -53.31 24.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 2.5 mt-30 -44.89 -51.15 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.41 -53.38 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -47.01 -49.9 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.36 -28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 19' ' ' GLN . 6.8 mp -99.9 -28.21 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' A' ' 50' ' ' ILE . 95.4 mt -131.29 70.87 82.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.13 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -45.64 -51.23 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.03 167.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.24 141.48 15.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 32' ' ' ILE . 9.3 mt-10 -47.07 -52.35 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.65 -41.74 2.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -81.74 -30.69 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 85.2 mt -71.82 -34.38 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HG ' ' CZ ' ' A' ' 68' ' ' ARG . 1.6 tm? -70.97 -52.48 19.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.1 -54.65 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.2 m -52.11 -60.67 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.8 mt -43.18 -61.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -43.21 -56.95 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.503 ' CG ' HD12 ' A' ' 59' ' ' LEU . 27.4 t80 -51.64 -47.02 63.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 71.2 m-85 -87.56 40.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m170 40.35 57.67 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' CZ ' HD12 ' A' ' 13' ' ' LEU . 55.8 m-85 42.9 57.32 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 14.5 t0 -113.99 121.94 35.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -60.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -56.57 5.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -47.76 -61.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 69.6 t -41.42 -68.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -48.34 -53.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.34 -60.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.519 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 40.4 m-80 -47.9 -68.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 55' ' ' LEU . 20.9 mt -41.53 -46.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.73 19.51 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 38.84 38.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -100.99 23.26 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 50' ' ' ILE . 13.9 mt -59.34 126.37 27.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.4 169.09 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD12 ' CG ' ' A' ' 38' ' ' TYR . 21.4 mt -74.84 -47.44 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 t -57.23 -18.07 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -82.43 -41.32 20.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.27 144.82 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.71 130.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -32.81 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -110.06 51.22 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.3 129.99 37.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.76 169.03 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -117.76 -57.82 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -45.81 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 123.24 13.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -90.77 132.99 35.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -143.6 108.66 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.86 128.8 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -98.77 137.8 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -63.84 115.16 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.62 -134.54 2.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.421 ' HB2' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.3 140.1 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.45 -46.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.48 -85.59 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.21 -55.51 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -41.62 -62.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 17' ' ' ILE . 5.1 tt -40.63 -59.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.32 -46.52 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -45.34 -62.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.3 mt -42.92 -58.22 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 13' ' ' LEU . 95.9 mt -47.54 -66.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -47.24 -51.01 20.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -46.83 -47.04 21.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.06 -54.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 4.9 tttt -46.16 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -44.89 -30.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.0 mt -92.65 -34.11 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.1 mt -129.7 70.59 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.8 -47.53 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 59.4 mt -69.64 162.73 27.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 140.04 14.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.467 ' HG3' ' CD ' ' A' ' 21' ' ' LYS . 20.8 mt-10 -44.16 -50.14 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.46 -44.58 2.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -79.06 -32.32 44.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 69.1 mt -69.13 -35.87 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -69.77 -52.85 21.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -56.34 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.52 -56.61 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.2 mt -46.71 -58.3 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.1 -50.05 20.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CG ' HD13 ' A' ' 59' ' ' LEU . 28.3 t80 -60.75 -42.91 98.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.649 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 64.1 m-85 -91.56 41.26 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 13.9 m-70 39.69 62.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' LEU . 59.6 m-85 37.71 55.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 13.5 t0 -112.6 122.12 37.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -59.23 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -43.45 -60.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 74.9 t -42.23 -70.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -45.57 -63.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -41.01 -59.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 11.6 m-80 -46.54 -63.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 55' ' ' LEU . 20.0 mt -40.32 -55.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.7 -43.29 72.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 mm-40 -88.07 16.39 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ASN . 22.5 mt-10 38.62 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 29.5 mtt-85 -82.89 0.12 45.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 50' ' ' ILE . 96.6 mt -48.2 123.16 6.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 60' ' ' SER . . . -51.9 157.71 1.96 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -97.0 -26.19 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD13 ' CG ' ' A' ' 38' ' ' TYR . 8.9 mt -95.95 -48.02 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -58.92 -25.49 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' OE1' ' A' ' 61' ' ' GLN . 1.0 OUTLIER -78.59 -28.29 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.5 mt -62.11 163.2 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 119.9 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 9.9 mtm-85 -59.96 -25.97 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.51 31.88 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 tp -58.83 145.42 40.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.04 169.02 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.95 122.48 42.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.65 132.58 36.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.19 105.88 14.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -100.25 102.8 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.25 89.86 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.15 -150.92 23.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -141.52 139.64 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -141.22 -61.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.0 91.45 0.88 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.425 ' HE3' ' CD2' ' A' ' 41' ' ' TYR . 26.5 ttt 42.36 77.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.6 t -174.35 68.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.64 -88.32 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -77.83 -63.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -39.8 -55.18 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.78 -62.35 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -41.97 -44.4 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -45.19 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.8 mt -51.83 -55.51 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.2 mt -50.71 -68.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -43.68 -52.81 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -45.17 -53.02 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' LEU . 54.1 t -69.08 -53.61 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -44.89 -54.95 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.17 -32.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 47.4 mt -90.22 -37.14 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt -129.27 72.32 81.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -27.23 10.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.0 -51.87 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.4 mt -65.39 158.81 25.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.48 137.9 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' ILE . 15.2 mt-10 -45.85 -50.73 13.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -39.46 -44.71 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 17.7 t80 -78.85 -32.13 45.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 21' ' ' LYS . 41.7 mt -68.97 -35.41 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.39 -52.62 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.14 -55.95 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.4 m -49.57 -52.84 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.1 mt -50.17 -60.66 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.4 mt-10 -43.18 -59.65 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -47.52 -49.71 25.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 56.9 m-85 -86.83 43.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 40.69 59.43 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.1 m-85 39.82 55.53 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 15.4 t0 -111.29 120.98 41.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.37 -56.84 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -46.48 -61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 95.8 t -44.75 -68.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -45.66 -53.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.95 -58.74 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.532 ' ND2' ' CZ ' ' A' ' 39' ' ' TYR . 42.6 m-80 -46.47 -66.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.7 mt -40.94 -52.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.23 -47.44 65.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -89.08 17.88 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.6 mm-40 38.88 36.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -101.24 33.79 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -73.42 131.08 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.01 158.14 0.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -8.34 19.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.6 m -94.26 -28.11 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 mt -92.83 -42.57 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -59.27 -29.56 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -78.82 -37.73 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.3 mt -46.11 159.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.27 109.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.63 -32.12 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -112.98 55.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 2.7 tp -81.73 137.06 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -95.71 170.44 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' NH1' ' HA ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -105.86 -54.4 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 55.79 106.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.2 tpp -163.41 134.58 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 160.72 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.806 . . . . 0.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 40.23 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.34 58.8 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.54 86.56 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.64 158.71 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.23 56.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -61.22 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER 83.85 63.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.46 -93.69 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -77.05 -64.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -39.71 -57.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tt -41.57 -54.7 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -47.57 -51.27 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 t -54.15 -52.32 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.2 mt -43.52 -54.32 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 84.9 mt -56.17 -68.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -41.16 -51.7 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.27 -56.02 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' LEU . 69.9 t -63.84 -53.33 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -46.29 -52.93 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -46.03 -29.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 50.5 mt -93.54 -35.33 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 50' ' ' ILE . 97.8 mt -131.16 72.45 81.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.57 9.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -45.11 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 47.4 mt -69.55 160.55 31.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.34 136.54 12.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.7 mt-10 -39.96 -51.7 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 66' ' ' LEU . . . -38.31 -47.33 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -76.79 -33.26 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 60.1 mt -67.26 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 34' ' ' ALA . 1.5 tm? -68.21 -52.41 34.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' N ' HD11 ' A' ' 33' ' ' LEU . . . -50.42 -54.76 19.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.2 m -49.74 -61.42 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.5 mt -43.6 -60.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.5 -55.23 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -53.54 -49.28 67.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 73.0 m-85 -86.65 42.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 39.61 63.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.563 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . 58.8 m-85 37.77 57.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.494 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 11.4 t0 -115.91 122.86 31.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -60.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -60.96 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -42.24 -58.59 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 42' ' ' ASP . 66.5 t -43.04 -72.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.411 HD13 ' CD1' ' A' ' 23' ' ' LEU . 47.0 mt -47.96 -47.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -54.05 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.481 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 14.3 m-80 -57.83 -60.37 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 24' ' ' LEU . 21.3 mt -46.22 -49.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.2 mt -60.38 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.55 19.15 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 tt0 40.26 33.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 14.3 mtp-105 -94.55 13.2 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mt -44.92 124.57 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.26 161.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.28 21.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -96.05 -30.77 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.2 mt -85.1 -41.39 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 t -59.45 -41.02 88.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -69.54 -38.43 77.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.4 mt -47.28 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 109.92 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 27' ' ' LEU . 10.5 mtm180 -49.14 -27.71 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -112.84 39.71 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.2 tp -69.07 140.09 54.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 69' ' ' GLU . 16.5 t70 -96.12 169.02 10.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' NH1' HD11 ' A' ' 17' ' ' ILE . 15.6 mmm-85 -88.34 -58.39 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 47.19 83.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.44 136.79 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.91 -50.46 61.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -47.2 -57.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 41' ' ' TYR . 95.5 mt -44.96 -63.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 97.6 mt -41.8 -69.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -40.93 -48.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -60.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 79.1 t -61.0 -54.49 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 6.1 ttpt -44.18 -54.94 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.06 -34.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 47' ' ' ILE . 59.4 mt -89.57 -37.76 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.7 mt -128.38 73.23 80.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.02 -30.71 6.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.78 -50.9 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 31' ' ' PHE . 57.0 mt -64.55 154.76 35.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 142.97 19.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' ILE . 14.4 mt-10 -47.36 -50.67 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.55 -44.43 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 27' ' ' LEU . 36.7 t80 -79.22 -32.11 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 29' ' ' GLU . 40.3 mt -69.31 -35.59 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -70.27 -52.69 21.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -55.32 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LEU . 5.5 m -49.27 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' HG21 ' A' ' 46' ' ' VAL . 4.9 mt -40.2 -59.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.6 mt-10 -45.56 -50.52 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.4 ' CG ' HD11 ' A' ' 59' ' ' LEU . 8.4 t80 -68.44 -24.77 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.708 ' CD2' HG22 ' A' ' 46' ' ' VAL . 37.6 m-85 -103.13 47.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' TYR . 29.1 m-70 39.5 43.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 42.0 m-85 47.0 50.47 13.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -115.48 129.93 24.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.97 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.19 -51.0 65.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.86 -62.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 42' ' ' ASP . 98.3 t -40.68 -65.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.624 ' CD1' HD12 ' A' ' 23' ' ' LEU . 62.1 mt -51.94 -58.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -41.61 -53.22 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.0 m-80 -56.03 -60.79 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.886 HG12 HD11 ' A' ' 55' ' ' LEU . 90.3 mt -48.11 -55.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 47' ' ' ILE . 6.3 mt -56.05 -42.1 76.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 2.3 mm-40 -88.45 17.0 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.7 mt-10 38.76 31.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' GLU . 13.2 mtp85 -93.3 16.23 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.886 HD11 HG12 ' A' ' 50' ' ' ILE . 23.6 mt -53.96 124.57 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -50.1 161.09 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -75.05 -11.5 21.39 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -93.96 -25.58 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CG ' ' A' ' 38' ' ' TYR . 20.0 mt -93.22 -48.3 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -54.36 -22.4 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -91.24 -34.88 14.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mt -47.28 164.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.83 106.89 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.97 -26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -114.36 45.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.1 tp -74.15 138.31 43.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.86 -45.39 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -57.65 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 ' HD3' ' A' ' 43' ' ' PRO . 20.0 mt -53.17 -57.66 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 69.0 mt -43.5 -66.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -53.03 -53.05 55.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -38.82 -56.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 43' ' ' PRO . 91.5 t -64.14 -54.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 8.5 ttpt -43.95 -55.43 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.86 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.2 mt -90.88 -38.95 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 86.8 mt -127.34 72.78 77.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.51 9.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.8 -53.05 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.41 168.23 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.59 142.07 15.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' ILE . 56.7 mt-10 -44.56 -52.14 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.666 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -40.0 -44.22 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.638 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 80.5 t80 -79.4 -30.99 42.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 81.0 mt -70.52 -36.33 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -69.59 -53.34 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.97 -56.25 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.757 ' HB3' HG22 ' A' ' 46' ' ' VAL . 5.0 m -48.11 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 41' ' ' TYR . 14.6 mt -40.07 -64.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -38.55 -60.51 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CG ' HD11 ' A' ' 59' ' ' LEU . 34.4 t80 -59.93 -39.1 84.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 34.0 m-85 -87.86 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.5 m-70 37.84 52.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 44.2 m-85 37.47 57.27 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.75 128.77 24.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD3' HD22 ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.94 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.12 -45.37 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -56.34 -59.68 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 35' ' ' CYS . 55.7 t -48.15 -65.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.722 HG22 HD12 ' A' ' 51' ' ' LEU . 51.6 mt -46.33 -63.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' ILE . 3.4 m-80 -40.16 -62.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 10.0 m-80 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.938 HG12 HD11 ' A' ' 55' ' ' LEU . 21.8 mt -47.18 -57.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.722 HD12 HG22 ' A' ' 47' ' ' ILE . 3.8 mt -48.48 -47.45 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.8 17.99 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.7 mm-40 38.71 39.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.29 27.06 7.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.938 HD11 HG12 ' A' ' 50' ' ' ILE . 16.4 mt -65.67 124.11 21.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -45.16 168.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.3 Cg_endo -74.99 -42.86 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -62.55 -48.42 79.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.665 HD11 ' CG ' ' A' ' 38' ' ' TYR . 20.9 mt -67.34 -47.14 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t -54.36 -29.1 47.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -72.3 -41.52 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.68 133.29 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -42.91 127.65 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -58.28 -42.1 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 63' ' ' ASP . 52.7 p-10 -103.61 52.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD23 ' HA3' ' A' ' 30' ' ' GLY . 1.2 tp -78.28 139.9 38.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.69 -37.9 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -56.46 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 41' ' ' TYR . 86.3 mt -45.92 -46.03 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 68.9 mt -59.89 -66.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -45.22 -48.13 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.73 -49.48 7.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.4 t -72.28 -54.39 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -44.79 -53.82 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.47 -34.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CD1' ' A' ' 47' ' ' ILE . 53.5 mt -90.43 -39.36 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.9 mt -125.61 74.41 69.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.01 -29.37 8.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -47.0 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.25 155.86 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.22 151.04 22.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' HD12 ' A' ' 32' ' ' ILE . 15.7 mt-10 -56.33 -50.31 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.6 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.66 -41.96 2.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -81.22 -30.97 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 29' ' ' GLU . 33.6 mt -71.16 -34.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -71.26 -52.42 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.36 -53.82 16.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.578 ' HA ' HD13 ' A' ' 59' ' ' LEU . 4.1 m -51.19 -61.64 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 6.4 mt -43.82 -62.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 4.5 mt-10 -40.42 -48.07 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CG ' HD11 ' A' ' 59' ' ' LEU . 24.7 t80 -71.41 -34.78 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.762 ' CD2' HG22 ' A' ' 46' ' ' VAL . 36.3 m-85 -91.47 47.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 89.0 m-70 39.05 47.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.576 ' O ' HD13 ' A' ' 16' ' ' LEU . 43.0 m-85 43.52 43.84 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.634 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -111.19 131.04 22.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -55.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.1 -53.2 13.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -47.3 -57.27 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.762 HG22 ' CD2' ' A' ' 39' ' ' TYR . 89.7 t -48.48 -66.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.498 ' CD1' HD12 ' A' ' 23' ' ' LEU . 95.9 mt -48.02 -61.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -40.64 -54.44 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.563 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.8 m-80 -55.8 -69.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.903 HG12 HD11 ' A' ' 55' ' ' LEU . 21.6 mt -40.43 -44.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.04 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -80.16 3.36 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER 52.13 31.54 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -90.71 6.91 42.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.903 HD11 HG12 ' A' ' 50' ' ' ILE . 15.6 mt -40.84 132.61 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 160.01 2.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.13 21.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 m -94.31 -28.85 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 35' ' ' CYS . 23.7 mt -92.24 -44.15 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -56.24 -18.23 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -92.92 -30.5 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 62' ' ' LEU . 11.1 mt -50.99 156.89 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.2 110.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -24.03 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -117.55 46.59 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.6 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.1 tp -75.94 132.72 40.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.656 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.1 tt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -51.14 -53.64 32.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -51.29 -53.02 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -46.33 -38.35 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.661 HG12 HD12 ' A' ' 36' ' ' LEU . 90.2 mt -73.46 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -42.57 -47.23 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -47.8 -58.84 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.9 t -65.41 -53.79 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.537 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.08 -57.03 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -44.48 -35.31 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 47' ' ' ILE . 37.7 mt -83.3 -38.0 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.1 mt -126.09 73.91 71.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.419 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.96 -20.4 16.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -57.77 -43.7 85.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.75 167.41 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.98 144.2 16.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 20.3 mt-10 -48.24 -51.4 25.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.13 -44.65 2.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 29.5 t80 -78.97 -32.89 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.537 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 63.4 mt -68.42 -37.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.592 HD23 HD21 ' A' ' 13' ' ' LEU . 1.1 tm? -67.93 -52.51 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' N ' HD13 ' A' ' 33' ' ' LEU . . . -50.37 -53.05 32.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' HD13 ' A' ' 59' ' ' LEU . 59.1 m -51.98 -51.5 56.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 HG12 ' A' ' 17' ' ' ILE . 15.3 mt -52.02 -61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.93 -48.06 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' HD11 ' A' ' 59' ' ' LEU . 26.7 t80 -65.46 -43.37 90.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.69 ' CD2' HG22 ' A' ' 46' ' ' VAL . 39.3 m-85 -87.37 41.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 39.91 55.37 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.656 ' CE1' HD11 ' A' ' 13' ' ' LEU . 54.7 m-85 43.77 48.29 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.759 ' O ' HG23 ' A' ' 46' ' ' VAL . 74.6 m-20 -111.39 119.76 44.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -49.2 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.59 -49.91 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -52.22 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 42' ' ' ASP . 62.0 t -40.41 -60.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.482 ' CD1' HD12 ' A' ' 23' ' ' LEU . 95.5 mt -57.38 -60.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.2 m-80 -40.39 -53.02 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.639 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 27.9 m-80 -57.72 -64.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.886 HG12 HD11 ' A' ' 55' ' ' LEU . 31.3 mt -44.14 -38.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.85 -41.12 65.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 mm-40 -90.07 20.44 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 39.1 34.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 13.0 mtp85 -100.06 23.91 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.886 HD11 HG12 ' A' ' 50' ' ' ILE . 19.1 mt -61.93 121.2 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.4 157.34 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.16 18.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -30.13 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 35' ' ' CYS . 16.2 mt -91.2 -42.13 10.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -56.12 -30.76 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -79.39 -35.17 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -51.72 157.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.51 115.18 4.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.31 -24.22 18.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -117.43 41.26 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 30' ' ' GLY . 5.3 tp -66.96 151.43 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 41' ' ' TYR . 2.6 tt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.26 -49.96 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -48.33 -61.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -41.56 -51.72 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.712 HD11 HD23 ' A' ' 33' ' ' LEU . 89.7 mt -56.46 -68.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -43.93 -48.26 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -46.27 -50.96 15.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG23 ' HB3' ' A' ' 43' ' ' PRO . 93.9 t -69.3 -55.39 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.28 -53.88 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -45.37 -34.64 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 HD11 ' A' ' 47' ' ' ILE . 40.7 mt -87.36 -36.31 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' VAL . 77.4 mt -125.68 74.54 70.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -42.37 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 46.6 mt -76.09 165.8 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.94 141.52 15.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 12.1 mt-10 -46.3 -50.37 16.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 0.741 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.538 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.69 -44.64 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 37.5 t80 -79.0 -31.6 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 66.2 mt -69.74 -36.05 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.712 HD23 HD11 ' A' ' 17' ' ' ILE . 1.6 tm? -69.7 -52.06 28.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.17 -55.27 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . 16.7 m -50.38 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.9 mt -40.24 -58.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 20.8 mt-10 -45.53 -45.42 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.9 -32.44 65.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.585 ' CD2' HG22 ' A' ' 46' ' ' VAL . 51.0 m-85 -94.63 45.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 39.05 44.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 66.1 m-85 45.8 68.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.3 t0 -132.09 125.59 20.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HB3' HG23 ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.98 -26.04 11.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -54.27 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -49.39 -51.22 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 42' ' ' ASP . 65.9 t -53.42 -57.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 23' ' ' LEU . 96.7 mt -57.7 -65.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.33 -48.65 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 m-80 -58.25 -70.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.944 HG12 HD11 ' A' ' 55' ' ' LEU . 19.1 mt -41.25 -41.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.16 -49.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -79.18 2.98 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 mp0 53.3 28.52 7.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -94.04 20.48 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.944 HD11 HG12 ' A' ' 50' ' ' ILE . 24.0 mt -54.08 123.42 12.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.09 156.22 0.48 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.84 21.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 m -91.81 -29.62 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 mt -90.83 -43.04 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 t -57.66 -29.43 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 -32.82 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 62' ' ' LEU . 14.0 mt -55.27 159.39 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.0 112.47 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 8.8 mtm180 -51.9 -27.29 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -113.43 44.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 30' ' ' GLY . 5.0 tp -71.24 138.59 49.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD11 ' OH ' ' A' ' 41' ' ' TYR . 5.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -49.6 -39.35 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -58.83 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' ' 41' ' ' TYR . 71.9 mt -46.81 -50.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 83.9 mt -52.3 -67.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -46.53 -52.5 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -41.2 -44.44 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' A' ' 43' ' ' PRO . 45.1 t -72.28 -55.37 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HE2' ' CD1' ' A' ' 32' ' ' ILE . 1.9 ttmm -47.29 -49.01 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -46.05 -26.08 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 21' ' ' LYS . 37.6 mt -100.75 -30.95 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.1 mt -128.22 72.95 79.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.78 21.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.22 -47.71 67.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -72.24 167.45 20.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.94 145.32 16.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.8 mt-10 -46.46 -52.97 12.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 0.73 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.607 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.6 -45.77 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.616 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 67.5 t80 -77.8 -31.51 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 79.5 mt -69.43 -37.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -67.83 -52.29 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.83 -55.37 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.731 ' HB3' HG22 ' A' ' 46' ' ' VAL . 20.1 m -52.56 -64.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 17' ' ' ILE . 6.9 mt -40.5 -63.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.547 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -41.9 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.809 ' CG ' HD11 ' A' ' 59' ' ' LEU . 49.8 t80 -51.79 -46.88 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 59.5 m-85 -87.43 43.57 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 5.7 m170 39.94 59.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 56.6 m-85 37.78 55.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -113.23 116.5 46.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HB3' HG23 ' A' ' 20' ' ' VAL . 18.1 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.48 -59.05 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 35' ' ' CYS . 11.3 t -47.29 -58.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 51' ' ' LEU . 88.1 mt -54.78 -62.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -40.28 -57.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 45.8 m-80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.912 HG12 HD11 ' A' ' 55' ' ' LEU . 21.9 mt -43.79 -47.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 47' ' ' ILE . 7.7 mt -59.11 -46.9 87.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.12 21.66 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mt-10 39.45 33.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -100.0 39.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.912 HD11 HG12 ' A' ' 50' ' ' ILE . 12.6 mt -78.93 127.47 32.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.04 158.61 0.54 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 18.3 Cg_endo -74.98 -22.02 15.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -81.63 -38.49 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' A' ' 38' ' ' TYR . 12.2 mt -82.31 -46.05 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.0 t -56.12 -23.88 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 7.7 mm100 -74.67 -38.79 62.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.9 145.26 25.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -50.27 120.28 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -51.74 -36.84 48.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -107.48 50.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.4 tp -76.74 139.08 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.7 -46.58 81.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.57 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -46.08 -44.42 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.656 HD11 HD23 ' A' ' 33' ' ' LEU . 46.4 mt -65.55 -64.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 p -41.58 -50.87 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -47.63 -53.01 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' LEU . 82.9 t -67.63 -55.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.7 -49.02 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.63 -32.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . 69.2 mt -91.03 -32.92 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 83.0 mt -129.96 70.64 82.16 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -21.67 15.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -50.57 73.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 74.3 mt -64.87 153.76 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.36 134.01 12.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 10.3 mt-10 -43.17 -47.93 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.688 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.25 -45.86 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.459 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 62.5 t80 -77.05 -30.55 55.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 73.0 mt -70.51 -37.48 70.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.656 HD23 HD11 ' A' ' 17' ' ' ILE . 1.4 tm? -68.11 -53.86 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.94 -57.65 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.635 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.8 m -46.68 -63.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.7 mt -41.35 -59.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.526 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -43.18 -59.01 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CG ' HD11 ' A' ' 59' ' ' LEU . 43.2 t80 -52.79 -45.21 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.643 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 66.4 m-85 -87.58 40.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' TYR . 11.7 m-70 40.02 58.41 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 59.4 m-85 39.73 58.7 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 46' ' ' VAL . 66.7 m-20 -115.92 120.62 35.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.17 -49.44 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.433 ' NE2' ' OD2' ' A' ' 42' ' ' ASP . 52.2 mt-30 -55.71 -60.14 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 42' ' ' ASP . 99.4 t -42.23 -66.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.485 HG22 HD12 ' A' ' 51' ' ' LEU . 82.1 mt -52.99 -51.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -46.4 -55.18 7.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.643 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 21.7 m-80 -54.55 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.798 HG12 HD11 ' A' ' 55' ' ' LEU . 19.6 mt -40.88 -49.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 47' ' ' ILE . 6.0 mt -55.72 -48.22 75.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.1 mm-40 -89.82 20.91 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER 38.75 37.1 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -103.24 37.35 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.798 HD11 HG12 ' A' ' 50' ' ' ILE . 11.4 mt -75.36 131.71 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.51 156.4 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.47 20.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -92.73 -27.02 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 35' ' ' CYS . 17.4 mt -94.41 -47.13 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -53.66 -20.16 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.0 pt20 -90.65 -34.47 15.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 15.2 mt -50.06 162.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 120.15 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtt180 -58.61 -28.95 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -110.67 43.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.688 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.8 tp -71.38 145.82 49.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.494 HD21 HD23 ' A' ' 33' ' ' LEU . 5.4 tt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -58.66 -41.77 86.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -61.82 -56.14 22.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 41' ' ' TYR . 88.9 mt -40.59 -52.32 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 77.3 mt -58.37 -69.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -39.43 -46.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -52.11 -56.17 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.57 -53.14 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -47.01 -51.68 16.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.5 -26.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 47' ' ' ILE . 57.5 mt -98.37 -34.98 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -129.52 70.48 81.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.96 -34.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -53.57 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 39.4 mt -63.13 170.09 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.34 147.26 18.32 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.1 mt-10 -52.02 -50.92 60.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.779 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.85 -44.59 1.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.8 t80 -79.09 -33.51 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' GLU . 70.3 mt -68.07 -36.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -69.27 -52.67 25.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.36 -56.29 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.539 ' HA ' HD13 ' A' ' 59' ' ' LEU . 14.0 m -49.13 -64.25 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 46' ' ' VAL . 11.0 mt -40.46 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 41' ' ' TYR . 1.8 mt-10 -41.69 -58.11 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -53.55 -47.05 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 65.8 m-85 -86.46 45.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' TYR . 60.2 m-70 39.91 57.54 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.543 ' HB3' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 38.18 48.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' HG23 ' A' ' 46' ' ' VAL . 66.9 m-20 -104.35 115.24 63.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.58 9.9 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -43.41 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 24.1 mt-30 -65.63 -56.9 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 36' ' ' LEU . 34.9 t -40.53 -49.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.626 HG22 HD12 ' A' ' 51' ' ' LEU . 91.9 mt -68.07 -59.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.03 -49.31 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 12.9 m120 -51.7 -66.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.892 HG12 HD11 ' A' ' 55' ' ' LEU . 21.4 mt -49.97 -49.39 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.626 HD12 HG22 ' A' ' 47' ' ' ILE . 8.6 mt -53.49 -49.18 68.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.67 14.36 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 45.61 29.34 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.352 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -92.39 23.32 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.892 HD11 HG12 ' A' ' 50' ' ' ILE . 16.3 mt -56.3 126.03 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.89 2.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.91 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 m -95.16 -29.82 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 35' ' ' CYS . 9.5 mt -93.42 -46.28 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -54.57 -21.38 10.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -90.9 -25.03 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.8 168.27 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -70.25 104.7 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.7 mtm180 -44.35 -31.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -110.71 45.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.3 tp -71.19 140.58 50.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 13' ' ' LEU . 6.8 tt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.94 -44.66 95.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.7 -53.28 32.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -48.1 -50.35 28.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.444 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 83.9 mt -55.69 -70.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.0 t -42.72 -51.65 5.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -42.95 -49.17 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 86.7 t -72.09 -53.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' LEU . 5.7 tttt -45.45 -53.23 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.17 -33.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 57.7 mt -92.43 -34.49 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.3 mt -128.39 72.47 80.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.0 Cg_endo -75.08 -29.6 7.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -49.92 -46.61 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' A' ' 64' ' ' ARG . 44.3 mt -70.06 163.1 26.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.15 145.07 17.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 32' ' ' ILE . 27.3 mt-10 -48.67 -52.02 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.39 -43.53 2.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 59.2 t80 -80.23 -30.29 38.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 29' ' ' GLU . 38.1 mt -71.43 -35.4 56.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -70.26 -52.48 22.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -54.22 15.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.6 ' HB3' HG22 ' A' ' 46' ' ' VAL . 6.2 m -51.9 -62.31 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.8 mt -41.98 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -41.78 -60.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.839 ' CG ' HD11 ' A' ' 59' ' ' LEU . 41.0 t80 -51.64 -45.33 63.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 48.0 m-85 -88.1 43.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' TYR . 59.2 m-70 40.01 57.56 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.9 m-85 39.15 57.15 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -115.7 117.63 39.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -46.08 89.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -55.85 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 35' ' ' CYS . 37.9 t -46.57 -66.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -44.08 -59.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -46.19 -56.77 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 13.5 m-80 -50.67 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.888 HG12 HD11 ' A' ' 55' ' ' LEU . 21.4 mt -42.39 -47.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.19 -43.38 95.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mm-40 -87.72 14.16 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 21.4 mt-10 42.62 33.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -101.16 31.84 3.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.888 HD11 HG12 ' A' ' 50' ' ' ILE . 13.4 mt -67.16 126.22 28.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.57 160.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.18 12.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -82.09 -30.87 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 38' ' ' TYR . 21.7 mt -85.56 -47.41 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -55.19 -27.99 49.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -70.18 -40.6 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.47 132.28 39.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -42.21 123.65 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.525 ' HD2' HD21 ' A' ' 27' ' ' LEU . 7.0 mtm-85 -53.76 -32.38 52.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -111.15 52.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.5 tp -80.07 139.53 36.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 13' ' ' LEU . 7.1 tt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.35 -46.42 89.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -58.94 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.8 mt -41.59 -53.85 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 71.9 mt -48.7 -71.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -47.81 23.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.86 -55.57 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.91 -54.34 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 12.0 ttpt -45.49 -51.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 -33.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 mt -92.16 -34.36 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -128.92 72.15 81.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.03 -33.77 4.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.15 -51.51 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD13 ' CE2' ' A' ' 31' ' ' PHE . 67.2 mt -65.09 161.72 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.42 145.71 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 32' ' ' ILE . 16.1 mt-10 -51.04 -51.51 52.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.613 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.83 -44.08 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.591 ' CE2' HD13 ' A' ' 27' ' ' LEU . 41.1 t80 -79.48 -31.43 42.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 29' ' ' GLU . 42.7 mt -69.88 -34.6 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.6 tm? -71.62 -52.63 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.8 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -49.21 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' HG21 ' A' ' 46' ' ' VAL . 7.2 mt -40.45 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.5 mt-10 -42.41 -60.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.695 ' CG ' HD11 ' A' ' 59' ' ' LEU . 56.3 t80 -51.81 -44.85 63.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CZ ' ' CG ' ' A' ' 49' ' ' ASN . 65.1 m-85 -88.47 43.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 86.7 m-70 40.05 58.71 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.7 m-85 37.7 54.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.913 ' O ' HG23 ' A' ' 46' ' ' VAL . 71.4 m-20 -110.55 124.98 31.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.72 -51.48 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -51.28 -61.97 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 42' ' ' ASP . 88.2 t -40.77 -68.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.538 HG22 HD12 ' A' ' 51' ' ' LEU . 73.0 mt -47.26 -59.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -44.12 -58.28 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.543 ' CG ' ' CZ ' ' A' ' 39' ' ' TYR . 10.0 m120 -45.06 -65.21 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HD11 ' A' ' 55' ' ' LEU . 24.4 mt -49.19 -46.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 47' ' ' ILE . 11.3 mt -55.25 -49.62 71.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 19.02 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.58 34.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -97.69 36.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.739 HD11 HG12 ' A' ' 50' ' ' ILE . 12.1 mt -76.42 133.73 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -51.27 161.0 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -75.05 -11.42 21.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.49 -22.74 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.695 HD11 ' CG ' ' A' ' 38' ' ' TYR . 13.2 mt -95.2 -48.11 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -21.51 38.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -88.39 -31.3 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.33 162.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.88 112.82 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HD2' HD21 ' A' ' 27' ' ' LEU . 9.1 mtm180 -49.59 -35.65 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -110.17 54.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.613 HD23 ' HA3' ' A' ' 30' ' ' GLY . 2.2 tp -80.95 131.54 35.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD11 ' CE1' ' A' ' 41' ' ' TYR . 5.3 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -51.43 -46.63 63.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -53.16 57.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.551 HD22 ' HD3' ' A' ' 43' ' ' PRO . 38.6 mt -47.54 -57.55 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -45.05 -67.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.4 m -50.59 -54.21 24.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.99 -53.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -65.47 -56.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.5 tttp -44.11 -51.97 7.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -41.39 -35.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.4 -31.72 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 50' ' ' ILE . 73.2 mt -127.42 72.56 77.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.7 -55.55 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD13 ' HE2' ' A' ' 31' ' ' PHE . 33.0 mt -60.91 159.72 10.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.8 146.23 18.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 32.2 mt-10 -50.45 -51.66 44.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.629 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.32 -42.04 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.648 ' HE2' HD13 ' A' ' 27' ' ' LEU . 42.2 t80 -81.4 -33.4 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 77.7 mt -68.99 -34.06 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.6 tm? -71.56 -52.38 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.0 -55.78 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' TYR . 5.7 m -48.78 -66.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' HG ' HG21 ' A' ' 46' ' ' VAL . 11.4 mt -40.0 -55.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -49.7 -45.15 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 59' ' ' LEU . 10.1 t80 -76.05 -19.46 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 38.6 m-85 -109.0 47.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 27.3 m170 38.06 51.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.54 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 50.5 m-85 36.95 61.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -127.8 127.88 23.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HD3' HD22 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.99 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -46.55 -47.37 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 70.3 mt-30 -57.23 -60.95 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.6 t -40.47 -62.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.697 HG22 HD12 ' A' ' 51' ' ' LEU . 97.6 mt -53.4 -58.39 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -44.41 -49.17 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 13.8 m120 -54.87 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.522 HG12 HD11 ' A' ' 55' ' ' LEU . 23.9 mt -48.95 -56.86 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 HG22 ' A' ' 47' ' ' ILE . 6.4 mt -50.19 -46.75 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ARG . 4.3 mm-40 -88.9 18.36 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.2 mt-10 38.88 30.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.4 mtp180 -89.5 17.42 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG12 ' A' ' 50' ' ' ILE . 11.1 mt -51.51 136.71 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -63.92 163.94 19.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -74.95 -12.82 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.9 -33.56 12.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 38' ' ' TYR . 16.2 mt -83.5 -39.75 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t -59.22 -34.85 72.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -79.24 -32.33 43.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 59' ' ' LEU . 10.8 mt -50.95 154.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.99 105.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -44.96 -34.46 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.03 56.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.629 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.5 tp -83.0 141.28 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 33' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -41.73 -43.57 2.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -48.92 -56.65 8.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -52.17 -60.69 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.528 HG21 ' OE1' ' A' ' 29' ' ' GLU . 89.5 mt -44.24 -69.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.5 p -44.9 -56.1 4.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -43.26 -56.12 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.5 t -65.28 -53.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.18 -56.19 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -44.19 -30.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' VAL . 45.0 mt -89.31 -38.02 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt -128.42 72.09 80.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -25.29 12.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -54.96 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.06 163.47 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.66 141.16 15.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.593 ' HA ' HD12 ' A' ' 32' ' ' ILE . 9.8 mt-10 -49.63 -50.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.498 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.84 -45.77 2.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.644 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 51.5 t80 -77.87 -30.89 51.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 29' ' ' GLU . 42.5 mt -69.72 -36.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.1 tm? -68.55 -53.43 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' HD13 ' A' ' 33' ' ' LEU . . . -47.1 -54.31 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 m -49.31 -62.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.479 ' HG ' HG21 ' A' ' 46' ' ' VAL . 6.8 mt -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.506 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.3 mt-10 -43.94 -51.63 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.812 ' CG ' HD11 ' A' ' 59' ' ' LEU . 35.3 t80 -63.01 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 64.9 m-85 -87.29 42.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 39.95 56.41 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.7 m-85 39.39 52.13 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 46' ' ' VAL . 74.8 m-20 -110.87 124.16 33.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.427 1.751 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.37 -49.64 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 46.7 mt-30 -53.02 -61.55 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.3 t -41.02 -65.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -50.69 -55.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.76 -55.69 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' TYR . 8.5 m120 -50.75 -65.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.951 HG12 HD11 ' A' ' 55' ' ' LEU . 20.0 mt -45.73 -53.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.77 -48.15 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.07 16.39 6.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.69 33.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -98.05 32.85 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.951 HD11 HG12 ' A' ' 50' ' ' ILE . 16.3 mt -71.13 121.15 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -43.64 162.08 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.3 Cg_endo -75.03 -34.43 3.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -68.54 -26.07 65.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.812 HD11 ' CG ' ' A' ' 38' ' ' TYR . 7.2 mt -95.2 -43.62 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -58.16 -16.76 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 14.9 mm-40 -83.18 -41.47 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.0 mt -50.77 148.87 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -56.06 120.24 7.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -54.67 -27.3 39.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -115.21 57.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.498 HD23 ' HA3' ' A' ' 30' ' ' GLY . 1.5 tp -86.66 142.54 28.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 13' ' ' LEU . 6.2 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.66 -42.04 95.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -55.18 -55.51 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 41' ' ' TYR . 77.6 mt -46.97 -43.35 19.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 93.3 mt -60.57 -58.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -55.67 -40.51 72.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -49.26 -51.38 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 43' ' ' PRO . 70.9 t -69.7 -54.81 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 ttpp -46.28 -50.07 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -43.15 -30.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.4 mp -100.34 -30.28 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' LYS . 88.8 mt -128.6 73.46 80.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.67 11.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.0 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD21 ' HD2' ' A' ' 64' ' ' ARG . 75.9 mt -59.5 153.99 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.8 138.42 14.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 21.5 mt-10 -43.07 -51.71 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.597 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . -38.13 -46.03 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.7 t80 -77.71 -34.3 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 76.1 mt -66.75 -36.62 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -69.27 -53.32 20.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.49 -55.22 11.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.732 ' HB3' HG22 ' A' ' 46' ' ' VAL . 12.3 m -49.62 -64.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' TYR . 17.3 mt -40.38 -63.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.5 mt-10 -41.85 -56.62 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -61.07 -37.91 84.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 43.6 m-85 -91.38 46.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 10.1 m170 37.69 52.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.77 66.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.05 122.16 20.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 18.4 Cg_endo -75.05 -22.27 14.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.74 -46.54 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 7.5 mt-30 -57.17 -53.79 54.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.732 HG22 ' HB3' ' A' ' 35' ' ' CYS . 55.7 t -49.58 -51.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 51' ' ' LEU . 97.1 mt -62.19 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -40.2 -52.88 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.569 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 6.7 m-80 -57.61 -66.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.614 HG13 HD21 ' A' ' 55' ' ' LEU . 40.1 mt -42.7 -46.26 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 47' ' ' ILE . 5.6 mt -65.09 -41.23 95.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mm-40 -89.64 19.17 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 38.79 30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.0 mtp180 -94.22 17.6 12.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 HG13 ' A' ' 50' ' ' ILE . 10.6 mt -49.41 129.78 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.67 156.2 1.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -11.73 21.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -95.05 -28.32 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 35' ' ' CYS . 15.9 mt -90.17 -47.48 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -52.98 -22.48 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -90.86 -26.45 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.51 159.74 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.29 111.4 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HD2' HD21 ' A' ' 27' ' ' LEU . 15.3 mtm-85 -52.76 -27.0 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -114.14 48.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.597 HD23 ' CA ' ' A' ' 30' ' ' GLY . 2.2 tp -77.07 140.2 40.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.98 -35.2 70.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -60.62 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.13 -50.67 11.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 85.2 mt -54.87 -67.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -39.46 -52.14 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -46.92 -55.78 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.6 t -66.42 -55.14 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.0 -54.66 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.49 -35.38 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.5 mt -84.0 -37.19 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.8 mt -127.61 73.58 78.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.06 -23.65 13.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.8 -50.43 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 31' ' ' PHE . 48.9 mt -64.66 165.36 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.35 140.8 15.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 6.9 mt-10 -45.51 -52.12 10.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.69 -44.29 2.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.448 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 39.3 t80 -79.21 -31.85 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.508 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.4 mt -69.8 -35.52 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 33' ' ' LEU . 1.1 tm? -70.44 -54.7 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.33 7.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.497 ' HB3' HG22 ' A' ' 46' ' ' VAL . 1.5 m -50.83 -63.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' TYR . 7.8 mt -41.65 -63.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.573 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.1 mt-10 -43.21 -62.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CG ' HD11 ' A' ' 59' ' ' LEU . 14.2 t80 -56.86 -27.65 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 27.8 m-85 -102.63 48.33 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 31.5 m-70 38.01 52.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 38.6 m-85 37.46 53.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.86 129.08 25.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.93 -56.23 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -41.99 -55.28 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 50' ' ' ILE . 76.9 t -57.24 -69.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 51' ' ' LEU . 74.5 mt -40.1 -52.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.38 -59.38 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 18.6 m-80 -48.88 -67.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.823 HG12 HD11 ' A' ' 55' ' ' LEU . 31.4 mt -40.59 -49.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 47' ' ' ILE . 5.3 mt -57.23 -46.84 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -89.87 20.38 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 tt0 39.92 31.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -96.32 35.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.823 HD11 HG12 ' A' ' 50' ' ' ILE . 12.2 mt -74.39 129.0 36.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.3 154.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.2 17.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.93 -27.23 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 35' ' ' CYS . 13.8 mt -95.33 -46.67 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -29.51 29.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.7 pt20 -77.98 -40.1 40.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 17.3 mt -46.8 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.93 114.05 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 11.8 mtt-85 -54.31 -28.94 45.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -113.48 42.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.591 HD23 ' HA3' ' A' ' 30' ' ' GLY . 2.6 tp -67.15 127.91 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -52.53 -47.63 66.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -56.68 -57.29 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -40.85 -55.55 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -56.08 -70.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -39.51 -51.73 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.85 -52.9 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' A' ' 47' ' ' ILE . 75.4 t -66.94 -57.16 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 5.5 ttpt -43.73 -56.28 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.23 -34.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.8 mt -88.86 -39.07 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.9 mt -125.93 74.02 70.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.93 -27.38 10.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -44.05 72.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.87 154.91 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.84 17.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 32' ' ' ILE . 11.1 mt-10 -47.88 -51.34 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.819 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.04 -47.96 1.97 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -76.01 -33.7 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 29' ' ' GLU . 36.4 mt -66.7 -37.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.3 tm? -68.51 -53.09 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.97 -58.48 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.601 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.0 m -45.98 -63.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.8 mt -41.39 -63.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.32 -60.01 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CG ' HD11 ' A' ' 59' ' ' LEU . 26.3 t80 -46.93 -48.1 21.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 46' ' ' VAL . 65.9 m-85 -90.19 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' TYR . 27.9 m-70 39.91 62.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.37 57.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 12.7 t0 -116.4 118.53 37.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -57.44 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -42.92 -61.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 39' ' ' TYR . 53.9 t -47.98 -72.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 20' ' ' VAL . 57.6 mt -40.63 -47.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.72 -49.47 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.3 m-80 -58.57 -58.94 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.834 HG12 HD11 ' A' ' 55' ' ' LEU . 88.2 mt -48.47 -34.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 51' ' ' LEU . 6.5 mt -77.5 -40.19 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.22 20.72 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 15.4 mt-10 39.0 38.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -102.86 15.87 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.834 HD11 HG12 ' A' ' 50' ' ' ILE . 16.6 mt -51.37 120.13 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -44.95 156.19 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -11.66 21.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -95.68 -27.25 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 35' ' ' CYS . 23.3 mt -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -59.54 -29.46 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -80.65 -34.02 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 59' ' ' LEU . 16.8 mt -50.44 164.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.74 115.27 9.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -56.46 -20.92 22.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -114.06 26.35 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.819 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.0 tp -55.87 140.12 43.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.79 -44.85 96.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -50.58 -54.48 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 mt -49.13 -49.58 41.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.503 HD11 HD23 ' A' ' 33' ' ' LEU . 94.9 mt -53.71 -66.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -47.37 -50.77 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -43.8 -55.17 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 80.6 t -65.53 -52.46 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -45.28 -53.77 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.09 -34.63 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 58.3 mt -86.1 -35.41 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' LYS . 90.2 mt -130.23 73.27 81.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -29.68 8.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -50.66 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 31' ' ' PHE . 39.0 mt -66.66 165.08 15.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.14 146.15 18.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 21.2 mt-10 -50.04 -50.65 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.657 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.48 -43.2 2.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 27' ' ' LEU . 58.1 t80 -80.18 -32.96 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.526 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.5 mt -68.98 -35.29 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 17' ' ' ILE . 1.2 tm? -70.51 -53.29 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.97 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.435 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.5 m -48.11 -58.98 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.0 mt -45.22 -60.83 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.91 -59.21 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.679 ' CG ' HD11 ' A' ' 59' ' ' LEU . 35.3 t80 -46.59 -50.42 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 70.5 m-85 -87.4 41.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 40.08 64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.603 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' LEU . 60.1 m-85 37.74 66.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.805 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.3 t0 -125.29 121.99 25.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -60.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.35 -62.01 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 25.5 mt-30 -40.59 -57.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 42' ' ' ASP . 94.9 t -52.3 -72.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.535 HG22 HD12 ' A' ' 51' ' ' LEU . 32.9 mt -40.42 -45.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -65.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.515 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 m-80 -42.23 -67.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.867 HG12 HD11 ' A' ' 55' ' ' LEU . 13.9 mt -42.89 -44.43 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.535 HD12 HG22 ' A' ' 47' ' ' ILE . 5.5 mt -62.85 -45.42 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.64 19.57 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mt-10 39.1 35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -105.35 36.57 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.867 HD11 HG12 ' A' ' 50' ' ' ILE . 12.6 mt -71.44 137.85 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.12 158.66 6.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -7.4 19.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -95.25 -30.38 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 38' ' ' TYR . 13.3 mt -90.73 -47.69 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -53.01 -32.63 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.9 pt20 -78.23 -40.61 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 62' ' ' LEU . 11.9 mt -44.3 158.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.66 114.78 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -53.24 -33.86 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -108.8 50.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.5 tp -78.0 141.09 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.5 tt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -49.95 -45.96 51.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -57.24 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -47.93 -53.76 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.411 HD11 HD23 ' A' ' 33' ' ' LEU . 85.2 mt -50.92 -63.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.5 m -49.63 -53.31 24.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 2.5 mt-30 -44.89 -51.15 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.41 -53.38 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HG3' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -47.01 -49.9 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.36 -28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 19' ' ' GLN . 6.8 mp -99.9 -28.21 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.4 mt -131.29 70.87 82.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.13 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -45.64 -51.23 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.03 167.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.24 141.48 15.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 32' ' ' ILE . 9.3 mt-10 -47.07 -52.35 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . -40.65 -41.74 2.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 69.3 t80 -81.74 -30.69 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 21' ' ' LYS . 85.2 mt -71.82 -34.38 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.6 tm? -70.97 -52.48 19.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.1 -54.65 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HA ' HD13 ' A' ' 59' ' ' LEU . 3.2 m -52.11 -60.67 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.8 mt -43.18 -61.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -43.21 -56.95 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.657 ' CG ' HD11 ' A' ' 59' ' ' LEU . 27.4 t80 -51.64 -47.02 63.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 71.2 m-85 -87.56 40.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m170 40.35 57.67 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' HD11 ' A' ' 13' ' ' LEU . 55.8 m-85 42.9 57.32 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.881 ' O ' HG23 ' A' ' 46' ' ' VAL . 14.5 t0 -113.99 121.94 35.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -60.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -56.57 5.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -47.76 -61.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 42' ' ' ASP . 69.6 t -41.42 -68.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 51' ' ' LEU . 79.3 mt -48.34 -53.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.34 -60.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.519 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 40.4 m-80 -47.9 -68.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.899 HG12 HD11 ' A' ' 55' ' ' LEU . 20.9 mt -41.53 -46.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.497 HD12 HG22 ' A' ' 47' ' ' ILE . 4.5 mt -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.73 19.51 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 38.84 38.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -100.99 23.26 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.899 HD11 HG12 ' A' ' 50' ' ' ILE . 13.9 mt -59.34 126.37 27.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -48.4 169.09 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.4 Cg_endo -74.97 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.657 HD11 ' CG ' ' A' ' 38' ' ' TYR . 21.4 mt -74.84 -47.44 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 t -57.23 -18.07 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -82.43 -41.32 20.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.27 144.82 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.71 130.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -32.81 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -110.06 51.22 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' A' ' 30' ' ' GLY . 3.1 tp -76.3 129.99 37.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 ' CE1' ' A' ' 41' ' ' TYR . 5.1 tt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.32 -46.52 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -62.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.564 HD22 ' HG3' ' A' ' 43' ' ' PRO . 49.3 mt -42.92 -58.22 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 95.9 mt -47.54 -66.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -47.24 -51.01 20.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -46.83 -47.04 21.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.06 -54.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 4.9 tttt -46.16 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -44.89 -30.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.418 HD12 HD13 ' A' ' 47' ' ' ILE . 54.0 mt -92.65 -34.11 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.1 mt -129.7 70.59 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.8 -47.53 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.502 HD21 ' HD2' ' A' ' 64' ' ' ARG . 59.4 mt -69.64 162.73 27.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 140.04 14.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG3' ' CD ' ' A' ' 21' ' ' LYS . 20.8 mt-10 -44.16 -50.14 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.718 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.46 -44.58 2.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 27' ' ' LEU . 60.4 t80 -79.06 -32.32 44.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 69.1 mt -69.13 -35.87 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -69.77 -52.85 21.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -56.34 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.52 -56.61 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.2 mt -46.71 -58.3 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.1 -50.05 20.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.933 ' CG ' HD11 ' A' ' 59' ' ' LEU . 28.3 t80 -60.75 -42.91 98.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.649 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 64.1 m-85 -91.56 41.26 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 13.9 m-70 39.69 62.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.503 ' CE1' HD11 ' A' ' 13' ' ' LEU . 59.6 m-85 37.71 55.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.891 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t0 -112.6 122.12 37.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG3' HD22 ' A' ' 16' ' ' LEU . 18.1 Cg_endo -75.05 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -59.23 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -43.45 -60.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.9 t -42.23 -70.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.418 HD13 HD12 ' A' ' 23' ' ' LEU . 60.7 mt -45.57 -63.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -41.01 -59.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 11.6 m-80 -46.54 -63.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.986 HG12 HD11 ' A' ' 55' ' ' LEU . 20.0 mt -40.32 -55.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.7 -43.29 72.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.445 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 mm-40 -88.07 16.39 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ASN . 22.5 mt-10 38.62 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 29.5 mtt-85 -82.89 0.12 45.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.986 HD11 HG12 ' A' ' 50' ' ' ILE . 96.6 mt -48.2 123.16 6.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 60' ' ' SER . . . -51.9 157.71 1.96 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -97.0 -26.19 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.933 HD11 ' CG ' ' A' ' 38' ' ' TYR . 8.9 mt -95.95 -48.02 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -58.92 -25.49 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' OE1' ' A' ' 61' ' ' GLN . 1.0 OUTLIER -78.59 -28.29 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 59' ' ' LEU . 43.5 mt -62.11 163.2 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 119.9 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.502 ' HD2' HD21 ' A' ' 27' ' ' LEU . 9.9 mtm-85 -59.96 -25.97 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.51 31.88 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.718 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.6 tp -58.83 145.42 40.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD21 HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -41.97 -44.4 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -45.19 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 43' ' ' PRO . 37.8 mt -51.83 -55.51 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.799 HG21 ' OE1' ' A' ' 29' ' ' GLU . 81.2 mt -50.71 -68.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -43.68 -52.81 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -45.17 -53.02 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' LEU . 54.1 t -69.08 -53.61 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -44.89 -54.95 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.17 -32.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 47.4 mt -90.22 -37.14 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt -129.27 72.32 81.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -27.23 10.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.0 -51.87 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 31' ' ' PHE . 52.4 mt -65.39 158.81 25.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.48 137.9 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.799 ' OE1' HG21 ' A' ' 17' ' ' ILE . 15.2 mt-10 -45.85 -50.73 13.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.477 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.46 -44.71 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' CE2' HD13 ' A' ' 27' ' ' LEU . 17.7 t80 -78.85 -32.13 45.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 29' ' ' GLU . 41.7 mt -68.97 -35.41 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 13' ' ' LEU . 1.4 tm? -70.39 -52.62 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.14 -55.95 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.4 m -49.57 -52.84 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.1 mt -50.17 -60.66 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.4 mt-10 -43.18 -59.65 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CG ' HD11 ' A' ' 59' ' ' LEU . 22.7 t80 -47.52 -49.71 25.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 56.9 m-85 -86.83 43.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 40.69 59.43 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.1 m-85 39.82 55.53 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.833 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 t0 -111.29 120.98 41.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG3' HD22 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.04 -59.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.37 -56.84 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -46.48 -61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 42' ' ' ASP . 95.8 t -44.75 -68.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 20' ' ' VAL . 56.6 mt -45.66 -53.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.95 -58.74 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.532 ' ND2' ' CZ ' ' A' ' 39' ' ' TYR . 42.6 m-80 -46.47 -66.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.641 HG12 HD11 ' A' ' 55' ' ' LEU . 21.7 mt -40.94 -52.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.23 -47.44 65.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -89.08 17.88 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.6 mm-40 38.88 36.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -101.24 33.79 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.641 HD11 HG12 ' A' ' 50' ' ' ILE . 11.3 mt -73.42 131.08 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.01 158.14 0.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -8.34 19.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.6 m -94.26 -28.11 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 38' ' ' TYR . 14.3 mt -92.83 -42.57 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -59.27 -29.56 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -78.82 -37.73 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 62' ' ' LEU . 13.3 mt -46.11 159.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.27 109.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.63 -32.12 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -112.98 55.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.7 tp -81.73 137.06 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.3 tt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -47.57 -51.27 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 t -54.15 -52.32 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.2 mt -43.52 -54.32 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 84.9 mt -56.17 -68.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -41.16 -51.7 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.27 -56.02 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' LEU . 69.9 t -63.84 -53.33 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -46.29 -52.93 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -46.03 -29.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 50.5 mt -93.54 -35.33 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . 97.8 mt -131.16 72.45 81.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.57 9.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -45.11 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.624 HD13 ' CE1' ' A' ' 31' ' ' PHE . 47.4 mt -69.55 160.55 31.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.34 136.54 12.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.7 mt-10 -39.96 -51.7 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.79 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.31 -47.33 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' ' 27' ' ' LEU . 13.3 t80 -76.79 -33.26 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 60.1 mt -67.26 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -68.21 -52.41 34.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.42 -54.76 19.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.562 ' HA ' HD13 ' A' ' 59' ' ' LEU . 45.2 m -49.74 -61.42 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.5 mt -43.6 -60.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.5 -55.23 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -53.54 -49.28 67.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 73.0 m-85 -86.65 42.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.5 m80 39.61 63.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.563 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 13' ' ' LEU . 58.8 m-85 37.77 57.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.852 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.4 t0 -115.91 122.86 31.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -60.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -60.96 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -42.24 -58.59 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 42' ' ' ASP . 66.5 t -43.04 -72.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 51' ' ' LEU . 47.0 mt -47.96 -47.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -54.05 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.481 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 14.3 m-80 -57.83 -60.37 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.573 ' CG1' HD21 ' A' ' 55' ' ' LEU . 21.3 mt -46.22 -49.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.501 HD12 HG22 ' A' ' 47' ' ' ILE . 5.2 mt -60.38 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.55 19.15 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 tt0 40.26 33.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 14.3 mtp-105 -94.55 13.2 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.573 HD21 ' CG1' ' A' ' 50' ' ' ILE . 10.9 mt -44.92 124.57 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.595 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -51.26 161.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.4 Cg_endo -75.0 -13.28 21.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -96.05 -30.77 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.595 ' HG ' ' HB3' ' A' ' 56' ' ' ALA . 20.2 mt -85.1 -41.39 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 t -59.45 -41.02 88.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -69.54 -38.43 77.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 62' ' ' LEU . 11.4 mt -47.28 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 109.92 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.5 mtm180 -49.14 -27.71 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -112.84 39.71 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.79 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.2 tp -69.07 140.09 54.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -174.4 91.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -76.76 135.0 38.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.62 128.83 7.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -121.77 120.98 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -96.88 91.32 5.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.76 -102.34 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.0 ttp 55.16 76.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.6 t -174.48 80.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.54 -84.67 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 t -78.15 -62.94 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -40.08 -56.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.79 -54.97 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.91 -50.46 61.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -47.2 -57.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 41' ' ' TYR . 95.5 mt -44.96 -63.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 97.6 mt -41.8 -69.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -40.93 -48.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -60.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 79.1 t -61.0 -54.49 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 6.1 ttpt -44.18 -54.94 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.06 -34.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 47' ' ' ILE . 59.4 mt -89.57 -37.76 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.7 mt -128.38 73.23 80.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.02 -30.71 6.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.78 -50.9 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 31' ' ' PHE . 57.0 mt -64.55 154.76 35.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 142.97 19.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' ILE . 14.4 mt-10 -47.36 -50.67 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.55 -44.43 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 27' ' ' LEU . 36.7 t80 -79.22 -32.11 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 29' ' ' GLU . 40.3 mt -69.31 -35.59 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -70.27 -52.69 21.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -55.32 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LEU . 5.5 m -49.27 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' HG21 ' A' ' 46' ' ' VAL . 4.9 mt -40.2 -59.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.6 mt-10 -45.56 -50.52 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.4 ' CG ' HD11 ' A' ' 59' ' ' LEU . 8.4 t80 -68.44 -24.77 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.708 ' CD2' HG22 ' A' ' 46' ' ' VAL . 37.6 m-85 -103.13 47.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' TYR . 29.1 m-70 39.5 43.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 42.0 m-85 47.0 50.47 13.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -115.48 129.93 24.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.97 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.19 -51.0 65.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.86 -62.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 42' ' ' ASP . 98.3 t -40.68 -65.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.624 ' CD1' HD12 ' A' ' 23' ' ' LEU . 62.1 mt -51.94 -58.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -41.61 -53.22 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.0 m-80 -56.03 -60.79 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.886 HG12 HD11 ' A' ' 55' ' ' LEU . 90.3 mt -48.11 -55.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 47' ' ' ILE . 6.3 mt -56.05 -42.1 76.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 2.3 mm-40 -88.45 17.0 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.7 mt-10 38.76 31.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' GLU . 13.2 mtp85 -93.3 16.23 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.886 HD11 HG12 ' A' ' 50' ' ' ILE . 23.6 mt -53.96 124.57 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -50.1 161.09 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -75.05 -11.5 21.39 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -93.96 -25.58 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CG ' ' A' ' 38' ' ' TYR . 20.0 mt -93.22 -48.3 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -54.36 -22.4 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -91.24 -34.88 14.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mt -47.28 164.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.83 106.89 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.97 -26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -114.36 45.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.1 tp -74.15 138.31 43.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -99.6 169.13 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -101.04 122.09 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.39 114.87 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 60.1 156.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.49 121.3 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m 59.62 91.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.15 118.74 0.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.112 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -151.17 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.17 103.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.08 -128.89 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.93 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -178.52 64.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.88 -87.37 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -80.15 -62.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.54 -54.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -43.01 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.86 -45.39 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -57.65 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 ' HD3' ' A' ' 43' ' ' PRO . 20.0 mt -53.17 -57.66 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 69.0 mt -43.5 -66.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -53.03 -53.05 55.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -38.82 -56.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 43' ' ' PRO . 91.5 t -64.14 -54.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 8.5 ttpt -43.95 -55.43 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.86 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.2 mt -90.88 -38.95 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 86.8 mt -127.34 72.78 77.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.51 9.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.8 -53.05 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.41 168.23 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.59 142.07 15.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' ILE . 56.7 mt-10 -44.56 -52.14 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.666 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -40.0 -44.22 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.638 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 80.5 t80 -79.4 -30.99 42.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 81.0 mt -70.52 -36.33 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -69.59 -53.34 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.97 -56.25 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.757 ' HB3' HG22 ' A' ' 46' ' ' VAL . 5.0 m -48.11 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 41' ' ' TYR . 14.6 mt -40.07 -64.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -38.55 -60.51 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CG ' HD11 ' A' ' 59' ' ' LEU . 34.4 t80 -59.93 -39.1 84.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 34.0 m-85 -87.86 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.5 m-70 37.84 52.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 44.2 m-85 37.47 57.27 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.75 128.77 24.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD3' HD22 ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.94 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.12 -45.37 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -56.34 -59.68 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 35' ' ' CYS . 55.7 t -48.15 -65.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.722 HG22 HD12 ' A' ' 51' ' ' LEU . 51.6 mt -46.33 -63.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' ILE . 3.4 m-80 -40.16 -62.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 10.0 m-80 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.938 HG12 HD11 ' A' ' 55' ' ' LEU . 21.8 mt -47.18 -57.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.722 HD12 HG22 ' A' ' 47' ' ' ILE . 3.8 mt -48.48 -47.45 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.8 17.99 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.7 mm-40 38.71 39.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.29 27.06 7.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.938 HD11 HG12 ' A' ' 50' ' ' ILE . 16.4 mt -65.67 124.11 21.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -45.16 168.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.3 Cg_endo -74.99 -42.86 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -62.55 -48.42 79.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.665 HD11 ' CG ' ' A' ' 38' ' ' TYR . 20.9 mt -67.34 -47.14 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t -54.36 -29.1 47.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -72.3 -41.52 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.68 133.29 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -42.91 127.65 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -58.28 -42.1 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 63' ' ' ASP . 52.7 p-10 -103.61 52.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD23 ' HA3' ' A' ' 30' ' ' GLY . 1.2 tp -78.28 139.9 38.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -101.66 169.04 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' HE ' HD13 ' A' ' 17' ' ' ILE . 1.5 mtm105 -103.28 -54.72 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -113.67 110.84 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 70.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 112.31 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 180.0 153.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.04 82.77 1.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 63.39 129.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -101.02 100.19 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.24 -125.15 6.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -177.38 90.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.8 p -179.57 127.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.61 -132.73 11.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -46.79 -36.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -52.16 -51.52 57.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -53.19 -60.89 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.69 -37.9 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -56.46 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 41' ' ' TYR . 86.3 mt -45.92 -46.03 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 68.9 mt -59.89 -66.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -45.22 -48.13 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.73 -49.48 7.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.4 t -72.28 -54.39 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -44.79 -53.82 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.47 -34.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CD1' ' A' ' 47' ' ' ILE . 53.5 mt -90.43 -39.36 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.9 mt -125.61 74.41 69.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.01 -29.37 8.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -47.0 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.25 155.86 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.22 151.04 22.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' HD12 ' A' ' 32' ' ' ILE . 15.7 mt-10 -56.33 -50.31 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.6 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.66 -41.96 2.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -81.22 -30.97 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 29' ' ' GLU . 33.6 mt -71.16 -34.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -71.26 -52.42 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.36 -53.82 16.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.578 ' HA ' HD13 ' A' ' 59' ' ' LEU . 4.1 m -51.19 -61.64 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 6.4 mt -43.82 -62.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 4.5 mt-10 -40.42 -48.07 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CG ' HD11 ' A' ' 59' ' ' LEU . 24.7 t80 -71.41 -34.78 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.762 ' CD2' HG22 ' A' ' 46' ' ' VAL . 36.3 m-85 -91.47 47.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 89.0 m-70 39.05 47.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.576 ' O ' HD13 ' A' ' 16' ' ' LEU . 43.0 m-85 43.52 43.84 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.634 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -111.19 131.04 22.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -55.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.1 -53.2 13.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -47.3 -57.27 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.762 HG22 ' CD2' ' A' ' 39' ' ' TYR . 89.7 t -48.48 -66.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.498 ' CD1' HD12 ' A' ' 23' ' ' LEU . 95.9 mt -48.02 -61.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -40.64 -54.44 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.563 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.8 m-80 -55.8 -69.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.903 HG12 HD11 ' A' ' 55' ' ' LEU . 21.6 mt -40.43 -44.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.04 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -80.16 3.36 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER 52.13 31.54 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -90.71 6.91 42.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.903 HD11 HG12 ' A' ' 50' ' ' ILE . 15.6 mt -40.84 132.61 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 160.01 2.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.13 21.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 m -94.31 -28.85 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 35' ' ' CYS . 23.7 mt -92.24 -44.15 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -56.24 -18.23 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -92.92 -30.5 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 62' ' ' LEU . 11.1 mt -50.99 156.89 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.2 110.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -24.03 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -117.55 46.59 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.6 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.1 tp -75.94 132.72 40.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -92.85 169.05 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' NH1' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -100.65 -58.47 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -130.49 141.3 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.0 95.89 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.56 90.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 62.04 84.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 -79.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -134.21 121.64 21.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -148.24 123.8 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.93 79.27 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -131.67 148.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p 177.99 145.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.5 -94.66 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -76.02 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -43.86 -57.88 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.656 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.1 tt -40.57 -51.01 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -51.14 -53.64 32.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -51.29 -53.02 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -46.33 -38.35 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.661 HG12 HD12 ' A' ' 36' ' ' LEU . 90.2 mt -73.46 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -42.57 -47.23 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -47.8 -58.84 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.9 t -65.41 -53.79 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.537 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.08 -57.03 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -44.48 -35.31 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 47' ' ' ILE . 37.7 mt -83.3 -38.0 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.1 mt -126.09 73.91 71.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.419 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.96 -20.4 16.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -57.77 -43.7 85.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.75 167.41 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.98 144.2 16.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 20.3 mt-10 -48.24 -51.4 25.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.13 -44.65 2.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 29.5 t80 -78.97 -32.89 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.537 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 63.4 mt -68.42 -37.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.592 HD23 HD21 ' A' ' 13' ' ' LEU . 1.1 tm? -67.93 -52.51 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' N ' HD13 ' A' ' 33' ' ' LEU . . . -50.37 -53.05 32.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' HD13 ' A' ' 59' ' ' LEU . 59.1 m -51.98 -51.5 56.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 HG12 ' A' ' 17' ' ' ILE . 15.3 mt -52.02 -61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.93 -48.06 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' HD11 ' A' ' 59' ' ' LEU . 26.7 t80 -65.46 -43.37 90.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.69 ' CD2' HG22 ' A' ' 46' ' ' VAL . 39.3 m-85 -87.37 41.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 39.91 55.37 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.656 ' CE1' HD11 ' A' ' 13' ' ' LEU . 54.7 m-85 43.77 48.29 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.759 ' O ' HG23 ' A' ' 46' ' ' VAL . 74.6 m-20 -111.39 119.76 44.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -49.2 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.59 -49.91 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -52.22 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 42' ' ' ASP . 62.0 t -40.41 -60.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.482 ' CD1' HD12 ' A' ' 23' ' ' LEU . 95.5 mt -57.38 -60.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.2 m-80 -40.39 -53.02 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.639 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 27.9 m-80 -57.72 -64.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.886 HG12 HD11 ' A' ' 55' ' ' LEU . 31.3 mt -44.14 -38.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.85 -41.12 65.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 mm-40 -90.07 20.44 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 39.1 34.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 13.0 mtp85 -100.06 23.91 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.886 HD11 HG12 ' A' ' 50' ' ' ILE . 19.1 mt -61.93 121.2 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.4 157.34 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.16 18.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -30.13 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 35' ' ' CYS . 16.2 mt -91.2 -42.13 10.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -56.12 -30.76 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -79.39 -35.17 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -51.72 157.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.51 115.18 4.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.31 -24.22 18.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -117.43 41.26 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 30' ' ' GLY . 5.3 tp -66.96 151.43 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.07 169.03 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -92.92 -61.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -62.65 95.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.21 138.9 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -70.75 125.98 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -173.78 110.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 130.42 10.32 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.14 163.41 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -93.42 153.05 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.046 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.16 -148.33 33.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -152.24 89.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -173.21 69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -93.4 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.37 -65.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -40.16 -59.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 41' ' ' TYR . 2.6 tt -40.75 -57.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.26 -49.96 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -48.33 -61.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -41.56 -51.72 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.712 HD11 HD23 ' A' ' 33' ' ' LEU . 89.7 mt -56.46 -68.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -43.93 -48.26 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -46.27 -50.96 15.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG23 ' HB3' ' A' ' 43' ' ' PRO . 93.9 t -69.3 -55.39 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.28 -53.88 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -45.37 -34.64 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 HD11 ' A' ' 47' ' ' ILE . 40.7 mt -87.36 -36.31 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' VAL . 77.4 mt -125.68 74.54 70.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -42.37 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 46.6 mt -76.09 165.8 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.94 141.52 15.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 12.1 mt-10 -46.3 -50.37 16.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 0.741 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.538 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.69 -44.64 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 37.5 t80 -79.0 -31.6 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 66.2 mt -69.74 -36.05 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.712 HD23 HD11 ' A' ' 17' ' ' ILE . 1.6 tm? -69.7 -52.06 28.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.17 -55.27 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . 16.7 m -50.38 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.9 mt -40.24 -58.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 20.8 mt-10 -45.53 -45.42 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.9 -32.44 65.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.585 ' CD2' HG22 ' A' ' 46' ' ' VAL . 51.0 m-85 -94.63 45.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 39.05 44.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 66.1 m-85 45.8 68.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.3 t0 -132.09 125.59 20.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HB3' HG23 ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.98 -26.04 11.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -54.27 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -49.39 -51.22 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 42' ' ' ASP . 65.9 t -53.42 -57.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 23' ' ' LEU . 96.7 mt -57.7 -65.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.33 -48.65 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 m-80 -58.25 -70.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.944 HG12 HD11 ' A' ' 55' ' ' LEU . 19.1 mt -41.25 -41.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.16 -49.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -79.18 2.98 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 mp0 53.3 28.52 7.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -94.04 20.48 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.944 HD11 HG12 ' A' ' 50' ' ' ILE . 24.0 mt -54.08 123.42 12.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.09 156.22 0.48 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.84 21.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 m -91.81 -29.62 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 mt -90.83 -43.04 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 t -57.66 -29.43 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 -32.82 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 62' ' ' LEU . 14.0 mt -55.27 159.39 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.0 112.47 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 8.8 mtm180 -51.9 -27.29 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -113.43 44.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 30' ' ' GLY . 5.0 tp -71.24 138.59 49.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -95.58 168.97 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -87.94 -75.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.89 156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.16 170.34 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -95.79 161.49 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.05 160.34 21.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.06 146.03 0.13 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.428 1.08 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.2 p -162.37 114.26 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.722 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -148.22 -64.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.91 146.27 6.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.568 ' HG2' HD12 ' A' ' 16' ' ' LEU . 2.3 mpp? -51.59 121.23 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.21 -64.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 108.292 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.8 -73.46 0.21 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -74.07 -60.38 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.9 -57.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD11 ' OH ' ' A' ' 41' ' ' TYR . 5.2 tt -50.08 -57.55 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -49.6 -39.35 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -58.83 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.568 HD12 ' HG2' ' A' ' 8' ' ' MET . 71.9 mt -46.81 -50.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 83.9 mt -52.3 -67.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -46.53 -52.5 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -41.2 -44.44 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' A' ' 43' ' ' PRO . 45.1 t -72.28 -55.37 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HE2' ' CD1' ' A' ' 32' ' ' ILE . 1.9 ttmm -47.29 -49.01 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -46.05 -26.08 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 21' ' ' LYS . 37.6 mt -100.75 -30.95 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.1 mt -128.22 72.95 79.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.78 21.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.22 -47.71 67.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -72.24 167.45 20.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.94 145.32 16.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.8 mt-10 -46.46 -52.97 12.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 0.73 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.6 -45.77 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.616 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 67.5 t80 -77.8 -31.51 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 79.5 mt -69.43 -37.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.516 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -67.83 -52.29 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.83 -55.37 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.731 ' HB3' HG22 ' A' ' 46' ' ' VAL . 20.1 m -52.56 -64.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 17' ' ' ILE . 6.9 mt -40.5 -63.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -41.9 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.809 ' CG ' HD11 ' A' ' 59' ' ' LEU . 49.8 t80 -51.79 -46.88 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 59.5 m-85 -87.43 43.57 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 5.7 m170 39.94 59.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 56.6 m-85 37.78 55.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -113.23 116.5 46.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HB3' HG23 ' A' ' 20' ' ' VAL . 18.1 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.48 -59.05 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 35' ' ' CYS . 11.3 t -47.29 -58.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 51' ' ' LEU . 88.1 mt -54.78 -62.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -40.28 -57.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 45.8 m-80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.912 HG12 HD11 ' A' ' 55' ' ' LEU . 21.9 mt -43.79 -47.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 47' ' ' ILE . 7.7 mt -59.11 -46.9 87.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.12 21.66 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mt-10 39.45 33.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -100.0 39.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.912 HD11 HG12 ' A' ' 50' ' ' ILE . 12.6 mt -78.93 127.47 32.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.04 158.61 0.54 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 18.3 Cg_endo -74.98 -22.02 15.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -81.63 -38.49 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' A' ' 38' ' ' TYR . 12.2 mt -82.31 -46.05 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.0 t -56.12 -23.88 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 7.7 mm100 -74.67 -38.79 62.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.9 145.26 25.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -50.27 120.28 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -51.74 -36.84 48.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -107.48 50.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.4 tp -76.74 139.08 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -97.04 169.09 10.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' NH1' HD13 ' A' ' 17' ' ' ILE . 8.8 mmm-85 -92.96 -56.27 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 63.76 79.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.3 ttt -140.81 93.43 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.53 -58.41 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -71.64 108.05 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 77.91 0.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.75 102.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 90.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 60.5 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -148.16 136.25 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 0.802 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.64 63.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.98 -92.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 t -75.52 -61.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -44.23 -61.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -43.87 -55.16 4.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.7 -46.58 81.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.57 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -46.08 -44.42 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.656 HD11 HD23 ' A' ' 33' ' ' LEU . 46.4 mt -65.55 -64.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 p -41.58 -50.87 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -47.63 -53.01 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' LEU . 82.9 t -67.63 -55.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.7 -49.02 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.63 -32.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . 69.2 mt -91.03 -32.92 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 83.0 mt -129.96 70.64 82.16 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -21.67 15.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -50.57 73.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 74.3 mt -64.87 153.76 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.36 134.01 12.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 10.3 mt-10 -43.17 -47.93 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.688 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.25 -45.86 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 62.5 t80 -77.05 -30.55 55.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 73.0 mt -70.51 -37.48 70.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.656 HD23 HD11 ' A' ' 17' ' ' ILE . 1.4 tm? -68.11 -53.86 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.94 -57.65 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.635 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.8 m -46.68 -63.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.7 mt -41.35 -59.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.526 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -43.18 -59.01 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CG ' HD11 ' A' ' 59' ' ' LEU . 43.2 t80 -52.79 -45.21 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.643 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 66.4 m-85 -87.58 40.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' TYR . 11.7 m-70 40.02 58.41 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 59.4 m-85 39.73 58.7 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 46' ' ' VAL . 66.7 m-20 -115.92 120.62 35.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.17 -49.44 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.433 ' NE2' ' OD2' ' A' ' 42' ' ' ASP . 52.2 mt-30 -55.71 -60.14 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 42' ' ' ASP . 99.4 t -42.23 -66.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.485 HG22 HD12 ' A' ' 51' ' ' LEU . 82.1 mt -52.99 -51.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -46.4 -55.18 7.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.643 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 21.7 m-80 -54.55 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.798 HG12 HD11 ' A' ' 55' ' ' LEU . 19.6 mt -40.88 -49.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 47' ' ' ILE . 6.0 mt -55.72 -48.22 75.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.1 mm-40 -89.82 20.91 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER 38.75 37.1 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -103.24 37.35 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.798 HD11 HG12 ' A' ' 50' ' ' ILE . 11.4 mt -75.36 131.71 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.51 156.4 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.47 20.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -92.73 -27.02 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 35' ' ' CYS . 17.4 mt -94.41 -47.13 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -53.66 -20.16 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.0 pt20 -90.65 -34.47 15.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 15.2 mt -50.06 162.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 120.15 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtt180 -58.61 -28.95 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -110.67 43.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.688 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.8 tp -71.38 145.82 49.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.52 168.99 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.476 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -94.88 119.51 33.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 58.2 96.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 ttt -172.75 165.99 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -171.19 86.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.46 149.85 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 61.35 2.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 90.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -135.27 -58.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.2 -106.8 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp 44.05 85.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.9 p -179.2 152.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 108.329 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.05 -90.84 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.23 -64.37 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.01 -54.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.494 HD21 HD23 ' A' ' 33' ' ' LEU . 5.4 tt -46.14 -49.41 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -58.66 -41.77 86.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -61.82 -56.14 22.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 41' ' ' TYR . 88.9 mt -40.59 -52.32 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 77.3 mt -58.37 -69.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -39.43 -46.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -52.11 -56.17 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.57 -53.14 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -47.01 -51.68 16.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.5 -26.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 47' ' ' ILE . 57.5 mt -98.37 -34.98 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -129.52 70.48 81.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.96 -34.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -53.57 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 39.4 mt -63.13 170.09 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.34 147.26 18.32 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.1 mt-10 -52.02 -50.92 60.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.779 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.85 -44.59 1.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.8 t80 -79.09 -33.51 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' GLU . 70.3 mt -68.07 -36.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -69.27 -52.67 25.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.36 -56.29 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.539 ' HA ' HD13 ' A' ' 59' ' ' LEU . 14.0 m -49.13 -64.25 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 46' ' ' VAL . 11.0 mt -40.46 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 41' ' ' TYR . 1.8 mt-10 -41.69 -58.11 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -53.55 -47.05 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 65.8 m-85 -86.46 45.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' TYR . 60.2 m-70 39.91 57.54 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.543 ' HB3' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 38.18 48.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' HG23 ' A' ' 46' ' ' VAL . 66.9 m-20 -104.35 115.24 63.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.58 9.9 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -43.41 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 24.1 mt-30 -65.63 -56.9 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 36' ' ' LEU . 34.9 t -40.53 -49.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.626 HG22 HD12 ' A' ' 51' ' ' LEU . 91.9 mt -68.07 -59.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.03 -49.31 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 12.9 m120 -51.7 -66.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.892 HG12 HD11 ' A' ' 55' ' ' LEU . 21.4 mt -49.97 -49.39 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.626 HD12 HG22 ' A' ' 47' ' ' ILE . 8.6 mt -53.49 -49.18 68.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.67 14.36 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 45.61 29.34 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.352 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -92.39 23.32 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.892 HD11 HG12 ' A' ' 50' ' ' ILE . 16.3 mt -56.3 126.03 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.89 2.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.91 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 m -95.16 -29.82 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 35' ' ' CYS . 9.5 mt -93.42 -46.28 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -54.57 -21.38 10.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -90.9 -25.03 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.8 168.27 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -70.25 104.7 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.7 mtm180 -44.35 -31.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -110.71 45.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.3 tp -71.19 140.58 50.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.5 168.9 9.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 121.66 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 75.72 128.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.74 170.55 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 71.78 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 t -175.59 -57.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.31 122.64 0.88 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -167.79 117.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -169.52 104.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.2 64.51 1.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 87.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 140.0 4.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -126.69 7.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 m -49.96 -37.54 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.82 -53.24 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 13' ' ' LEU . 6.8 tt -52.71 -48.46 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.94 -44.66 95.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.7 -53.28 32.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -48.1 -50.35 28.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.444 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 83.9 mt -55.69 -70.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.0 t -42.72 -51.65 5.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -42.95 -49.17 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 86.7 t -72.09 -53.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' LEU . 5.7 tttt -45.45 -53.23 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.17 -33.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 57.7 mt -92.43 -34.49 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.3 mt -128.39 72.47 80.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.0 Cg_endo -75.08 -29.6 7.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -49.92 -46.61 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' A' ' 64' ' ' ARG . 44.3 mt -70.06 163.1 26.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.15 145.07 17.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 32' ' ' ILE . 27.3 mt-10 -48.67 -52.02 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.39 -43.53 2.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 59.2 t80 -80.23 -30.29 38.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 29' ' ' GLU . 38.1 mt -71.43 -35.4 56.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -70.26 -52.48 22.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -54.22 15.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.6 ' HB3' HG22 ' A' ' 46' ' ' VAL . 6.2 m -51.9 -62.31 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.8 mt -41.98 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -41.78 -60.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.839 ' CG ' HD11 ' A' ' 59' ' ' LEU . 41.0 t80 -51.64 -45.33 63.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 48.0 m-85 -88.1 43.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' TYR . 59.2 m-70 40.01 57.56 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.9 m-85 39.15 57.15 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -115.7 117.63 39.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -46.08 89.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -55.85 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 35' ' ' CYS . 37.9 t -46.57 -66.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -44.08 -59.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -46.19 -56.77 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 13.5 m-80 -50.67 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.888 HG12 HD11 ' A' ' 55' ' ' LEU . 21.4 mt -42.39 -47.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.19 -43.38 95.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mm-40 -87.72 14.16 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 21.4 mt-10 42.62 33.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -101.16 31.84 3.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.888 HD11 HG12 ' A' ' 50' ' ' ILE . 13.4 mt -67.16 126.22 28.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.57 160.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.18 12.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -82.09 -30.87 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 38' ' ' TYR . 21.7 mt -85.56 -47.41 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -55.19 -27.99 49.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -70.18 -40.6 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.47 132.28 39.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -42.21 123.65 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.525 ' HD2' HD21 ' A' ' 27' ' ' LEU . 7.0 mtm-85 -53.76 -32.38 52.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -111.15 52.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.5 tp -80.07 139.53 36.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.96 169.03 9.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -103.96 123.44 47.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.52 123.28 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.6 tpt -139.89 125.99 19.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.14 -58.7 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -129.0 149.05 50.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.5 76.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -114.43 84.97 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -159.15 86.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.36 59.34 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.61 98.02 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.1 p -174.7 60.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.13 -136.44 3.81 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 m -43.02 -32.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.41 -54.76 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 13' ' ' LEU . 7.1 tt -48.7 -53.88 17.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.35 -46.42 89.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -58.94 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.8 mt -41.59 -53.85 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 71.9 mt -48.7 -71.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -47.81 23.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.86 -55.57 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.91 -54.34 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 12.0 ttpt -45.49 -51.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 -33.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 mt -92.16 -34.36 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -128.92 72.15 81.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.03 -33.77 4.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.15 -51.51 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD13 ' CE2' ' A' ' 31' ' ' PHE . 67.2 mt -65.09 161.72 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.42 145.71 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 32' ' ' ILE . 16.1 mt-10 -51.04 -51.51 52.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.613 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.83 -44.08 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.591 ' CE2' HD13 ' A' ' 27' ' ' LEU . 41.1 t80 -79.48 -31.43 42.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 29' ' ' GLU . 42.7 mt -69.88 -34.6 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.539 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.6 tm? -71.62 -52.63 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.8 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -49.21 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' HG21 ' A' ' 46' ' ' VAL . 7.2 mt -40.45 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.5 mt-10 -42.41 -60.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.695 ' CG ' HD11 ' A' ' 59' ' ' LEU . 56.3 t80 -51.81 -44.85 63.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CZ ' ' CG ' ' A' ' 49' ' ' ASN . 65.1 m-85 -88.47 43.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 86.7 m-70 40.05 58.71 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.7 m-85 37.7 54.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.913 ' O ' HG23 ' A' ' 46' ' ' VAL . 71.4 m-20 -110.55 124.98 31.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.72 -51.48 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -51.28 -61.97 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 42' ' ' ASP . 88.2 t -40.77 -68.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.538 HG22 HD12 ' A' ' 51' ' ' LEU . 73.0 mt -47.26 -59.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -44.12 -58.28 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.543 ' CG ' ' CZ ' ' A' ' 39' ' ' TYR . 10.0 m120 -45.06 -65.21 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HD11 ' A' ' 55' ' ' LEU . 24.4 mt -49.19 -46.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 47' ' ' ILE . 11.3 mt -55.25 -49.62 71.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 19.02 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.58 34.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -97.69 36.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD11 HG12 ' A' ' 50' ' ' ILE . 12.1 mt -76.42 133.73 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -51.27 161.0 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -75.05 -11.42 21.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.49 -22.74 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.695 HD11 ' CG ' ' A' ' 38' ' ' TYR . 13.2 mt -95.2 -48.11 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -21.51 38.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -88.39 -31.3 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.33 162.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.88 112.82 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HD2' HD21 ' A' ' 27' ' ' LEU . 9.1 mtm180 -49.59 -35.65 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -110.17 54.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.613 HD23 ' HA3' ' A' ' 30' ' ' GLY . 2.2 tp -80.95 131.54 35.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -94.91 169.07 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.84 124.93 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.83 161.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.5 ptp -150.93 175.01 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -166.11 125.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -177.63 156.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.3 -90.49 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 p -92.63 92.53 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -147.64 104.99 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.22 130.68 2.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ttt 57.56 160.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.025 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.03 78.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.29 -95.12 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -77.73 -65.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.06 -54.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD11 ' CE1' ' A' ' 41' ' ' TYR . 5.3 tt -44.75 -57.07 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -51.43 -46.63 63.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -53.16 57.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.551 HD22 ' HD3' ' A' ' 43' ' ' PRO . 38.6 mt -47.54 -57.55 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -45.05 -67.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.4 m -50.59 -54.21 24.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.99 -53.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -65.47 -56.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.5 tttp -44.11 -51.97 7.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -41.39 -35.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.4 -31.72 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 50' ' ' ILE . 73.2 mt -127.42 72.56 77.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.7 -55.55 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD13 ' HE2' ' A' ' 31' ' ' PHE . 33.0 mt -60.91 159.72 10.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.8 146.23 18.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 32.2 mt-10 -50.45 -51.66 44.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.629 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.32 -42.04 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.648 ' HE2' HD13 ' A' ' 27' ' ' LEU . 42.2 t80 -81.4 -33.4 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 77.7 mt -68.99 -34.06 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.6 tm? -71.56 -52.38 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.0 -55.78 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' TYR . 5.7 m -48.78 -66.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' HG ' HG21 ' A' ' 46' ' ' VAL . 11.4 mt -40.0 -55.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -49.7 -45.15 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 59' ' ' LEU . 10.1 t80 -76.05 -19.46 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 38.6 m-85 -109.0 47.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 27.3 m170 38.06 51.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.54 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 50.5 m-85 36.95 61.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -127.8 127.88 23.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HD3' HD22 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.99 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -46.55 -47.37 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 70.3 mt-30 -57.23 -60.95 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.6 t -40.47 -62.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.697 HG22 HD12 ' A' ' 51' ' ' LEU . 97.6 mt -53.4 -58.39 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -44.41 -49.17 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 13.8 m120 -54.87 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.522 HG12 HD11 ' A' ' 55' ' ' LEU . 23.9 mt -48.95 -56.86 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 HG22 ' A' ' 47' ' ' ILE . 6.4 mt -50.19 -46.75 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ARG . 4.3 mm-40 -88.9 18.36 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.2 mt-10 38.88 30.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.4 mtp180 -89.5 17.42 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG12 ' A' ' 50' ' ' ILE . 11.1 mt -51.51 136.71 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -63.92 163.94 19.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -74.95 -12.82 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.9 -33.56 12.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 38' ' ' TYR . 16.2 mt -83.5 -39.75 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t -59.22 -34.85 72.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -79.24 -32.33 43.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 59' ' ' LEU . 10.8 mt -50.95 154.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.99 105.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -44.96 -34.46 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.03 56.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.629 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.5 tp -83.0 141.28 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.87 168.97 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HA ' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.53 -54.39 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.92 97.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -149.05 173.36 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -133.18 145.41 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -154.65 120.66 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.64 68.63 0.98 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 m -73.83 103.18 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 0.737 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 p -80.36 -58.33 3.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.7 164.41 27.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttt -59.8 162.27 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 t 68.67 88.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.05 -96.8 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -77.45 -64.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.94 -51.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 33' ' ' LEU . 1.6 tt -50.27 -61.08 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -41.73 -43.57 2.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -48.92 -56.65 8.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -52.17 -60.69 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.528 HG21 ' OE1' ' A' ' 29' ' ' GLU . 89.5 mt -44.24 -69.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.5 p -44.9 -56.1 4.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -43.26 -56.12 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.5 t -65.28 -53.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.18 -56.19 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -44.19 -30.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' VAL . 45.0 mt -89.31 -38.02 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt -128.42 72.09 80.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -25.29 12.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -54.96 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.06 163.47 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.66 141.16 15.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.593 ' HA ' HD12 ' A' ' 32' ' ' ILE . 9.8 mt-10 -49.63 -50.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.498 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.84 -45.77 2.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.644 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 51.5 t80 -77.87 -30.89 51.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 29' ' ' GLU . 42.5 mt -69.72 -36.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.1 tm? -68.55 -53.43 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' HD13 ' A' ' 33' ' ' LEU . . . -47.1 -54.31 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 m -49.31 -62.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.479 ' HG ' HG21 ' A' ' 46' ' ' VAL . 6.8 mt -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.506 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.3 mt-10 -43.94 -51.63 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.812 ' CG ' HD11 ' A' ' 59' ' ' LEU . 35.3 t80 -63.01 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 64.9 m-85 -87.29 42.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 39.95 56.41 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.7 m-85 39.39 52.13 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 46' ' ' VAL . 74.8 m-20 -110.87 124.16 33.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.427 1.751 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.37 -49.64 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 46.7 mt-30 -53.02 -61.55 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.3 t -41.02 -65.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -50.69 -55.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.76 -55.69 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' TYR . 8.5 m120 -50.75 -65.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.951 HG12 HD11 ' A' ' 55' ' ' LEU . 20.0 mt -45.73 -53.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.77 -48.15 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.07 16.39 6.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.69 33.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -98.05 32.85 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.951 HD11 HG12 ' A' ' 50' ' ' ILE . 16.3 mt -71.13 121.15 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -43.64 162.08 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.3 Cg_endo -75.03 -34.43 3.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -68.54 -26.07 65.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.812 HD11 ' CG ' ' A' ' 38' ' ' TYR . 7.2 mt -95.2 -43.62 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -58.16 -16.76 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 14.9 mm-40 -83.18 -41.47 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.0 mt -50.77 148.87 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -56.06 120.24 7.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -54.67 -27.3 39.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.46 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -115.21 57.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.498 HD23 ' HA3' ' A' ' 30' ' ' GLY . 1.5 tp -86.66 142.54 28.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -98.1 168.98 9.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 1.4 mmp_? -103.47 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -49.89 141.81 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 57.34 165.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -63.43 169.25 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.19 156.53 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.44 -93.32 2.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -82.89 103.91 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t 67.66 112.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.79 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -155.78 91.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.75 64.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' GLU . . . 174.19 -138.79 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 m -42.02 -29.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 10' ' ' GLY . 1.3 mm-40 -58.74 -52.42 65.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 13' ' ' LEU . 6.2 tt -52.66 -46.8 67.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.66 -42.04 95.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -55.18 -55.51 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 41' ' ' TYR . 77.6 mt -46.97 -43.35 19.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 93.3 mt -60.57 -58.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -55.67 -40.51 72.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -49.26 -51.38 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 43' ' ' PRO . 70.9 t -69.7 -54.81 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 ttpp -46.28 -50.07 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -43.15 -30.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.4 mp -100.34 -30.28 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' LYS . 88.8 mt -128.6 73.46 80.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.67 11.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.0 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD21 ' HD2' ' A' ' 64' ' ' ARG . 75.9 mt -59.5 153.99 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.8 138.42 14.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 21.5 mt-10 -43.07 -51.71 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.597 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . -38.13 -46.03 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.7 t80 -77.71 -34.3 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 76.1 mt -66.75 -36.62 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.4 tm? -69.27 -53.32 20.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.49 -55.22 11.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.732 ' HB3' HG22 ' A' ' 46' ' ' VAL . 12.3 m -49.62 -64.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' TYR . 17.3 mt -40.38 -63.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.5 mt-10 -41.85 -56.62 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -61.07 -37.91 84.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 43.6 m-85 -91.38 46.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 10.1 m170 37.69 52.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.77 66.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.05 122.16 20.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 18.4 Cg_endo -75.05 -22.27 14.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.74 -46.54 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 7.5 mt-30 -57.17 -53.79 54.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.732 HG22 ' HB3' ' A' ' 35' ' ' CYS . 55.7 t -49.58 -51.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 51' ' ' LEU . 97.1 mt -62.19 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -40.2 -52.88 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.569 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 6.7 m-80 -57.61 -66.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.614 HG13 HD21 ' A' ' 55' ' ' LEU . 40.1 mt -42.7 -46.26 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 47' ' ' ILE . 5.6 mt -65.09 -41.23 95.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mm-40 -89.64 19.17 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 38.79 30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.0 mtp180 -94.22 17.6 12.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 HG13 ' A' ' 50' ' ' ILE . 10.6 mt -49.41 129.78 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.67 156.2 1.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -11.73 21.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -95.05 -28.32 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 35' ' ' CYS . 15.9 mt -90.17 -47.48 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -52.98 -22.48 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -90.86 -26.45 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.51 159.74 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.29 111.4 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HD2' HD21 ' A' ' 27' ' ' LEU . 15.3 mtm-85 -52.76 -27.0 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -114.14 48.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.597 HD23 ' CA ' ' A' ' 30' ' ' GLY . 2.2 tp -77.07 140.2 40.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -100.34 168.98 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HA ' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -107.03 121.44 44.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.95 143.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.05 178.01 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -93.19 147.53 22.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 0.777 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -122.89 85.93 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.2 55.93 14.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 54.72 89.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -138.28 141.88 39.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 153.37 5.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.402 ' CE ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER 54.64 96.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -176.03 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.62 -128.56 3.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.5 m -45.99 -42.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -45.41 -44.64 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HG ' ' CE ' ' A' ' 8' ' ' MET . 6.7 tt -59.75 -55.52 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.98 -35.2 70.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -60.62 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.13 -50.67 11.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 85.2 mt -54.87 -67.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -39.46 -52.14 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -46.92 -55.78 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.6 t -66.42 -55.14 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.0 -54.66 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.49 -35.38 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.5 mt -84.0 -37.19 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.8 mt -127.61 73.58 78.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.06 -23.65 13.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.8 -50.43 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 31' ' ' PHE . 48.9 mt -64.66 165.36 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.35 140.8 15.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 6.9 mt-10 -45.51 -52.12 10.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.69 -44.29 2.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.448 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 39.3 t80 -79.21 -31.85 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.508 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.4 mt -69.8 -35.52 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 HD22 ' O ' ' A' ' 33' ' ' LEU . 1.1 tm? -70.44 -54.7 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.33 7.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.497 ' HB3' HG22 ' A' ' 46' ' ' VAL . 1.5 m -50.83 -63.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' TYR . 7.8 mt -41.65 -63.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.573 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.1 mt-10 -43.21 -62.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CG ' HD11 ' A' ' 59' ' ' LEU . 14.2 t80 -56.86 -27.65 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 27.8 m-85 -102.63 48.33 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 31.5 m-70 38.01 52.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 38.6 m-85 37.46 53.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.86 129.08 25.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.93 -56.23 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -41.99 -55.28 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 50' ' ' ILE . 76.9 t -57.24 -69.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 51' ' ' LEU . 74.5 mt -40.1 -52.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.38 -59.38 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 18.6 m-80 -48.88 -67.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.823 HG12 HD11 ' A' ' 55' ' ' LEU . 31.4 mt -40.59 -49.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 47' ' ' ILE . 5.3 mt -57.23 -46.84 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -89.87 20.38 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 tt0 39.92 31.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -96.32 35.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.823 HD11 HG12 ' A' ' 50' ' ' ILE . 12.2 mt -74.39 129.0 36.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.3 154.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.2 17.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.93 -27.23 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 35' ' ' CYS . 13.8 mt -95.33 -46.67 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -29.51 29.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.7 pt20 -77.98 -40.1 40.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 17.3 mt -46.8 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.93 114.05 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 11.8 mtt-85 -54.31 -28.94 45.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -113.48 42.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.591 HD23 ' HA3' ' A' ' 30' ' ' GLY . 2.6 tp -67.15 127.91 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.69 169.16 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -122.17 -54.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -44.98 141.91 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mmt -124.95 147.2 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 63.58 108.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -77.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.49 -154.78 16.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -135.43 148.25 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -69.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.16 -99.82 0.74 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.61 102.53 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 p 175.85 167.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -104.28 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.98 -63.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -40.46 -55.7 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.44 -57.02 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -52.53 -47.63 66.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -56.68 -57.29 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -40.85 -55.55 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.482 HD13 ' HE ' ' A' ' 68' ' ' ARG . 81.3 mt -56.08 -70.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -39.51 -51.73 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.85 -52.9 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' A' ' 47' ' ' ILE . 75.4 t -66.94 -57.16 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 5.5 ttpt -43.73 -56.28 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.23 -34.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.8 mt -88.86 -39.07 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.9 mt -125.93 74.02 70.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.93 -27.38 10.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -44.05 72.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.87 154.91 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.84 17.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 32' ' ' ILE . 11.1 mt-10 -47.88 -51.34 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.819 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.04 -47.96 1.97 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -76.01 -33.7 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 29' ' ' GLU . 36.4 mt -66.7 -37.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.3 tm? -68.51 -53.09 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.97 -58.48 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.601 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.0 m -45.98 -63.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.8 mt -41.39 -63.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.32 -60.01 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CG ' HD11 ' A' ' 59' ' ' LEU . 26.3 t80 -46.93 -48.1 21.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 46' ' ' VAL . 65.9 m-85 -90.19 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' TYR . 27.9 m-70 39.91 62.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.37 57.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 12.7 t0 -116.4 118.53 37.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -57.44 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -42.92 -61.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 39' ' ' TYR . 53.9 t -47.98 -72.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 20' ' ' VAL . 57.6 mt -40.63 -47.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.72 -49.47 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.3 m-80 -58.57 -58.94 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.834 HG12 HD11 ' A' ' 55' ' ' LEU . 88.2 mt -48.47 -34.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 51' ' ' LEU . 6.5 mt -77.5 -40.19 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.22 20.72 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 15.4 mt-10 39.0 38.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -102.86 15.87 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.834 HD11 HG12 ' A' ' 50' ' ' ILE . 16.6 mt -51.37 120.13 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -44.95 156.19 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -11.66 21.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -95.68 -27.25 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 35' ' ' CYS . 23.3 mt -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -59.54 -29.46 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -80.65 -34.02 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 59' ' ' LEU . 16.8 mt -50.44 164.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.74 115.27 9.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -56.46 -20.92 22.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -114.06 26.35 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.819 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.0 tp -55.87 140.12 43.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -100.83 169.08 9.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -85.68 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.7 152.66 39.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 ttp -171.67 166.55 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -119.63 155.87 31.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.33 100.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.9 -151.37 7.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -116.84 150.02 39.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.16 117.8 4.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.4 74.33 0.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ttp -80.74 85.92 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.96 87.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.09 -141.1 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 m -42.95 -36.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.747 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.65 -53.62 49.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -48.94 -53.79 18.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.79 -44.85 96.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -50.58 -54.48 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 mt -49.13 -49.58 41.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.503 HD11 HD23 ' A' ' 33' ' ' LEU . 94.9 mt -53.71 -66.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -47.37 -50.77 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -43.8 -55.17 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 80.6 t -65.53 -52.46 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -45.28 -53.77 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.09 -34.63 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 58.3 mt -86.1 -35.41 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' LYS . 90.2 mt -130.23 73.27 81.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -29.68 8.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -50.66 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 31' ' ' PHE . 39.0 mt -66.66 165.08 15.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.14 146.15 18.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 21.2 mt-10 -50.04 -50.65 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.657 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.48 -43.2 2.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 27' ' ' LEU . 58.1 t80 -80.18 -32.96 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.526 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.5 mt -68.98 -35.29 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 17' ' ' ILE . 1.2 tm? -70.51 -53.29 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.97 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.5 m -48.11 -58.98 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.0 mt -45.22 -60.83 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.91 -59.21 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.679 ' CG ' HD11 ' A' ' 59' ' ' LEU . 35.3 t80 -46.59 -50.42 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 70.5 m-85 -87.4 41.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 40.08 64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.603 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' LEU . 60.1 m-85 37.74 66.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.805 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.3 t0 -125.29 121.99 25.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -60.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.35 -62.01 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 25.5 mt-30 -40.59 -57.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 42' ' ' ASP . 94.9 t -52.3 -72.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.535 HG22 HD12 ' A' ' 51' ' ' LEU . 32.9 mt -40.42 -45.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -65.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.515 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 m-80 -42.23 -67.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.867 HG12 HD11 ' A' ' 55' ' ' LEU . 13.9 mt -42.89 -44.43 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.535 HD12 HG22 ' A' ' 47' ' ' ILE . 5.5 mt -62.85 -45.42 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.64 19.57 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mt-10 39.1 35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -105.35 36.57 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.867 HD11 HG12 ' A' ' 50' ' ' ILE . 12.6 mt -71.44 137.85 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.12 158.66 6.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -7.4 19.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -95.25 -30.38 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 38' ' ' TYR . 13.3 mt -90.73 -47.69 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -53.01 -32.63 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.9 pt20 -78.23 -40.61 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 62' ' ' LEU . 11.9 mt -44.3 158.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.66 114.78 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -53.24 -33.86 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -108.8 50.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.5 tp -78.0 141.09 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.41 169.09 9.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -99.9 -55.63 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.33 139.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.9 mtt -134.53 167.39 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.15 129.26 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m 63.47 -89.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.76 -163.76 13.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.1 p -109.27 76.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -131.74 133.99 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.51 58.0 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttp -84.11 88.44 7.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.9 t -174.42 81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.33 -86.31 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 t -81.1 -63.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -40.06 -54.01 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.5 tt -46.58 -57.26 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -49.95 -45.96 51.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -57.24 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -47.93 -53.76 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.411 HD11 HD23 ' A' ' 33' ' ' LEU . 85.2 mt -50.92 -63.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.5 m -49.63 -53.31 24.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 2.5 mt-30 -44.89 -51.15 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.41 -53.38 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HG3' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -47.01 -49.9 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.36 -28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 19' ' ' GLN . 6.8 mp -99.9 -28.21 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.4 mt -131.29 70.87 82.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.13 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -45.64 -51.23 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.03 167.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.24 141.48 15.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 32' ' ' ILE . 9.3 mt-10 -47.07 -52.35 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . -40.65 -41.74 2.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 69.3 t80 -81.74 -30.69 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 21' ' ' LYS . 85.2 mt -71.82 -34.38 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.6 tm? -70.97 -52.48 19.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.1 -54.65 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HA ' HD13 ' A' ' 59' ' ' LEU . 3.2 m -52.11 -60.67 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.8 mt -43.18 -61.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -43.21 -56.95 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.657 ' CG ' HD11 ' A' ' 59' ' ' LEU . 27.4 t80 -51.64 -47.02 63.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 71.2 m-85 -87.56 40.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m170 40.35 57.67 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' HD11 ' A' ' 13' ' ' LEU . 55.8 m-85 42.9 57.32 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.881 ' O ' HG23 ' A' ' 46' ' ' VAL . 14.5 t0 -113.99 121.94 35.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -60.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -56.57 5.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -47.76 -61.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 42' ' ' ASP . 69.6 t -41.42 -68.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 51' ' ' LEU . 79.3 mt -48.34 -53.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.34 -60.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.519 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 40.4 m-80 -47.9 -68.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.899 HG12 HD11 ' A' ' 55' ' ' LEU . 20.9 mt -41.53 -46.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.497 HD12 HG22 ' A' ' 47' ' ' ILE . 4.5 mt -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.73 19.51 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 38.84 38.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -100.99 23.26 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.899 HD11 HG12 ' A' ' 50' ' ' ILE . 13.9 mt -59.34 126.37 27.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -48.4 169.09 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.4 Cg_endo -74.97 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.657 HD11 ' CG ' ' A' ' 38' ' ' TYR . 21.4 mt -74.84 -47.44 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 t -57.23 -18.07 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -82.43 -41.32 20.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.27 144.82 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.71 130.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -32.81 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -110.06 51.22 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.405 HD23 ' CA ' ' A' ' 30' ' ' GLY . 3.1 tp -76.3 129.99 37.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.76 169.03 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -117.76 -57.82 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -45.81 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 123.24 13.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -90.77 132.99 35.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -143.6 108.66 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.86 128.8 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -98.77 137.8 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -63.84 115.16 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.62 -134.54 2.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.421 ' HB2' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.3 140.1 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.45 -46.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.48 -85.59 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.21 -55.51 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -41.62 -62.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 ' CE1' ' A' ' 41' ' ' TYR . 5.1 tt -40.63 -59.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.32 -46.52 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -45.34 -62.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.564 HD22 ' HG3' ' A' ' 43' ' ' PRO . 49.3 mt -42.92 -58.22 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 95.9 mt -47.54 -66.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -47.24 -51.01 20.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -46.83 -47.04 21.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.06 -54.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 4.9 tttt -46.16 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -44.89 -30.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.418 HD12 HD13 ' A' ' 47' ' ' ILE . 54.0 mt -92.65 -34.11 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.1 mt -129.7 70.59 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.8 -47.53 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.502 HD21 ' HD2' ' A' ' 64' ' ' ARG . 59.4 mt -69.64 162.73 27.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 140.04 14.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG3' ' CD ' ' A' ' 21' ' ' LYS . 20.8 mt-10 -44.16 -50.14 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.718 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.46 -44.58 2.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 27' ' ' LEU . 60.4 t80 -79.06 -32.32 44.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 69.1 mt -69.13 -35.87 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -69.77 -52.85 21.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -56.34 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.52 -56.61 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.2 mt -46.71 -58.3 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.1 -50.05 20.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.933 ' CG ' HD11 ' A' ' 59' ' ' LEU . 28.3 t80 -60.75 -42.91 98.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.649 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 64.1 m-85 -91.56 41.26 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 13.9 m-70 39.69 62.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.503 ' CE1' HD11 ' A' ' 13' ' ' LEU . 59.6 m-85 37.71 55.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.891 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t0 -112.6 122.12 37.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG3' HD22 ' A' ' 16' ' ' LEU . 18.1 Cg_endo -75.05 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -59.23 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -43.45 -60.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.9 t -42.23 -70.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.418 HD13 HD12 ' A' ' 23' ' ' LEU . 60.7 mt -45.57 -63.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -41.01 -59.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 11.6 m-80 -46.54 -63.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.986 HG12 HD11 ' A' ' 55' ' ' LEU . 20.0 mt -40.32 -55.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.7 -43.29 72.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 mm-40 -88.07 16.39 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ASN . 22.5 mt-10 38.62 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 29.5 mtt-85 -82.89 0.12 45.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.986 HD11 HG12 ' A' ' 50' ' ' ILE . 96.6 mt -48.2 123.16 6.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 60' ' ' SER . . . -51.9 157.71 1.96 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -97.0 -26.19 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.933 HD11 ' CG ' ' A' ' 38' ' ' TYR . 8.9 mt -95.95 -48.02 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -58.92 -25.49 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' OE1' ' A' ' 61' ' ' GLN . 1.0 OUTLIER -78.59 -28.29 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 59' ' ' LEU . 43.5 mt -62.11 163.2 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 119.9 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' HD2' HD21 ' A' ' 27' ' ' LEU . 9.9 mtm-85 -59.96 -25.97 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.51 31.88 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.718 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.6 tp -58.83 145.42 40.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.04 169.02 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -98.95 122.48 42.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.65 132.58 36.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.19 105.88 14.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -100.25 102.8 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.25 89.86 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.15 -150.92 23.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -141.52 139.64 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -141.22 -61.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.0 91.45 0.88 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt 42.36 77.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.6 t -174.35 68.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.64 -88.32 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -77.83 -63.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -39.8 -55.18 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD21 HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -47.78 -62.35 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -41.97 -44.4 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -45.19 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 43' ' ' PRO . 37.8 mt -51.83 -55.51 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.799 HG21 ' OE1' ' A' ' 29' ' ' GLU . 81.2 mt -50.71 -68.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -43.68 -52.81 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -45.17 -53.02 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' LEU . 54.1 t -69.08 -53.61 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -44.89 -54.95 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.17 -32.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 47.4 mt -90.22 -37.14 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt -129.27 72.32 81.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -27.23 10.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.0 -51.87 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 31' ' ' PHE . 52.4 mt -65.39 158.81 25.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.48 137.9 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.799 ' OE1' HG21 ' A' ' 17' ' ' ILE . 15.2 mt-10 -45.85 -50.73 13.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.477 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.46 -44.71 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' CE2' HD13 ' A' ' 27' ' ' LEU . 17.7 t80 -78.85 -32.13 45.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 29' ' ' GLU . 41.7 mt -68.97 -35.41 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 13' ' ' LEU . 1.4 tm? -70.39 -52.62 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.14 -55.95 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.4 m -49.57 -52.84 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.1 mt -50.17 -60.66 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.4 mt-10 -43.18 -59.65 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CG ' HD11 ' A' ' 59' ' ' LEU . 22.7 t80 -47.52 -49.71 25.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 56.9 m-85 -86.83 43.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 40.69 59.43 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.1 m-85 39.82 55.53 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.833 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 t0 -111.29 120.98 41.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG3' HD22 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.04 -59.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.37 -56.84 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -46.48 -61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 42' ' ' ASP . 95.8 t -44.75 -68.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 20' ' ' VAL . 56.6 mt -45.66 -53.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.95 -58.74 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.532 ' ND2' ' CZ ' ' A' ' 39' ' ' TYR . 42.6 m-80 -46.47 -66.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.641 HG12 HD11 ' A' ' 55' ' ' LEU . 21.7 mt -40.94 -52.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.23 -47.44 65.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -89.08 17.88 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.6 mm-40 38.88 36.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -101.24 33.79 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.641 HD11 HG12 ' A' ' 50' ' ' ILE . 11.3 mt -73.42 131.08 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.01 158.14 0.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -8.34 19.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.6 m -94.26 -28.11 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 38' ' ' TYR . 14.3 mt -92.83 -42.57 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -59.27 -29.56 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -78.82 -37.73 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 62' ' ' LEU . 13.3 mt -46.11 159.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.27 109.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.63 -32.12 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -112.98 55.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.7 tp -81.73 137.06 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -95.71 170.44 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.449 ' HA ' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -105.86 -54.4 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 55.79 106.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.2 tpp -163.41 134.58 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 160.72 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.806 . . . . 0.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 40.23 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.34 58.8 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.54 86.56 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.64 158.71 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.23 56.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -61.22 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER 83.85 63.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.46 -93.69 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -77.05 -64.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -39.71 -57.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.3 tt -41.57 -54.7 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -47.57 -51.27 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 t -54.15 -52.32 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.2 mt -43.52 -54.32 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.57 HD13 ' NH1' ' A' ' 68' ' ' ARG . 84.9 mt -56.17 -68.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -41.16 -51.7 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.27 -56.02 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' LEU . 69.9 t -63.84 -53.33 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -46.29 -52.93 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -46.03 -29.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 50.5 mt -93.54 -35.33 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . 97.8 mt -131.16 72.45 81.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.57 9.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -45.11 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.624 HD13 ' CE1' ' A' ' 31' ' ' PHE . 47.4 mt -69.55 160.55 31.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.34 136.54 12.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.7 mt-10 -39.96 -51.7 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.79 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.31 -47.33 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' ' 27' ' ' LEU . 13.3 t80 -76.79 -33.26 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 60.1 mt -67.26 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.5 tm? -68.21 -52.41 34.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.42 -54.76 19.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.562 ' HA ' HD13 ' A' ' 59' ' ' LEU . 45.2 m -49.74 -61.42 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.5 mt -43.6 -60.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.5 -55.23 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -53.54 -49.28 67.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 73.0 m-85 -86.65 42.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.5 m80 39.61 63.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.563 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 13' ' ' LEU . 58.8 m-85 37.77 57.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.852 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.4 t0 -115.91 122.86 31.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -60.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -60.96 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -42.24 -58.59 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 42' ' ' ASP . 66.5 t -43.04 -72.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 51' ' ' LEU . 47.0 mt -47.96 -47.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -54.05 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.481 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 14.3 m-80 -57.83 -60.37 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.573 ' CG1' HD21 ' A' ' 55' ' ' LEU . 21.3 mt -46.22 -49.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.501 HD12 HG22 ' A' ' 47' ' ' ILE . 5.2 mt -60.38 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.55 19.15 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 tt0 40.26 33.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 14.3 mtp-105 -94.55 13.2 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.573 HD21 ' CG1' ' A' ' 50' ' ' ILE . 10.9 mt -44.92 124.57 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.595 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -51.26 161.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.4 Cg_endo -75.0 -13.28 21.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -96.05 -30.77 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.595 ' HG ' ' HB3' ' A' ' 56' ' ' ALA . 20.2 mt -85.1 -41.39 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 t -59.45 -41.02 88.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -69.54 -38.43 77.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 62' ' ' LEU . 11.4 mt -47.28 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 109.92 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.5 mtm180 -49.14 -27.71 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -112.84 39.71 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.79 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.2 tp -69.07 140.09 54.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 69' ' ' GLU . 16.5 t70 -96.12 169.02 10.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' NH1' HD13 ' A' ' 17' ' ' ILE . 15.6 mmm-85 -88.34 -58.39 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 47.19 83.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.44 136.79 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.91 -50.46 61.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -47.2 -57.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 41' ' ' TYR . 95.5 mt -44.96 -63.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 97.6 mt -41.8 -69.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -40.93 -48.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -60.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 79.1 t -61.0 -54.49 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 6.1 ttpt -44.18 -54.94 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.06 -34.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 47' ' ' ILE . 59.4 mt -89.57 -37.76 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.7 mt -128.38 73.23 80.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.02 -30.71 6.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.78 -50.9 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 31' ' ' PHE . 57.0 mt -64.55 154.76 35.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 142.97 19.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' ILE . 14.4 mt-10 -47.36 -50.67 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.55 -44.43 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 27' ' ' LEU . 36.7 t80 -79.22 -32.11 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 29' ' ' GLU . 40.3 mt -69.31 -35.59 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -70.27 -52.69 21.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -55.32 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LEU . 5.5 m -49.27 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' HG21 ' A' ' 46' ' ' VAL . 4.9 mt -40.2 -59.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.6 mt-10 -45.56 -50.52 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.4 ' CG ' HD11 ' A' ' 59' ' ' LEU . 8.4 t80 -68.44 -24.77 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.708 ' CD2' HG22 ' A' ' 46' ' ' VAL . 37.6 m-85 -103.13 47.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' TYR . 29.1 m-70 39.5 43.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 42.0 m-85 47.0 50.47 13.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -115.48 129.93 24.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.97 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.19 -51.0 65.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.86 -62.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 42' ' ' ASP . 98.3 t -40.68 -65.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.624 ' CD1' HD12 ' A' ' 23' ' ' LEU . 62.1 mt -51.94 -58.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -41.61 -53.22 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.0 m-80 -56.03 -60.79 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.886 HG12 HD11 ' A' ' 55' ' ' LEU . 90.3 mt -48.11 -55.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 47' ' ' ILE . 6.3 mt -56.05 -42.1 76.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 2.3 mm-40 -88.45 17.0 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.7 mt-10 38.76 31.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' GLU . 13.2 mtp85 -93.3 16.23 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.886 HD11 HG12 ' A' ' 50' ' ' ILE . 23.6 mt -53.96 124.57 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -50.1 161.09 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -75.05 -11.5 21.39 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -93.96 -25.58 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CG ' ' A' ' 38' ' ' TYR . 20.0 mt -93.22 -48.3 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -54.36 -22.4 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -91.24 -34.88 14.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mt -47.28 164.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.83 106.89 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.97 -26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -114.36 45.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.1 tp -74.15 138.31 43.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.86 -45.39 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -57.65 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 ' HD3' ' A' ' 43' ' ' PRO . 20.0 mt -53.17 -57.66 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 69.0 mt -43.5 -66.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -53.03 -53.05 55.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -38.82 -56.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 43' ' ' PRO . 91.5 t -64.14 -54.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 8.5 ttpt -43.95 -55.43 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.86 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.2 mt -90.88 -38.95 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 86.8 mt -127.34 72.78 77.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.51 9.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.8 -53.05 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.41 168.23 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.59 142.07 15.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' ILE . 56.7 mt-10 -44.56 -52.14 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.666 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -40.0 -44.22 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.638 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 80.5 t80 -79.4 -30.99 42.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 81.0 mt -70.52 -36.33 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -69.59 -53.34 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.97 -56.25 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.757 ' HB3' HG22 ' A' ' 46' ' ' VAL . 5.0 m -48.11 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 41' ' ' TYR . 14.6 mt -40.07 -64.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -38.55 -60.51 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CG ' HD11 ' A' ' 59' ' ' LEU . 34.4 t80 -59.93 -39.1 84.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 34.0 m-85 -87.86 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.5 m-70 37.84 52.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 44.2 m-85 37.47 57.27 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.75 128.77 24.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD3' HD22 ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.94 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.12 -45.37 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -56.34 -59.68 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 35' ' ' CYS . 55.7 t -48.15 -65.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.722 HG22 HD12 ' A' ' 51' ' ' LEU . 51.6 mt -46.33 -63.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' ILE . 3.4 m-80 -40.16 -62.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 10.0 m-80 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.938 HG12 HD11 ' A' ' 55' ' ' LEU . 21.8 mt -47.18 -57.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.722 HD12 HG22 ' A' ' 47' ' ' ILE . 3.8 mt -48.48 -47.45 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.8 17.99 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.7 mm-40 38.71 39.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.29 27.06 7.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.938 HD11 HG12 ' A' ' 50' ' ' ILE . 16.4 mt -65.67 124.11 21.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -45.16 168.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.3 Cg_endo -74.99 -42.86 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -62.55 -48.42 79.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.665 HD11 ' CG ' ' A' ' 38' ' ' TYR . 20.9 mt -67.34 -47.14 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t -54.36 -29.1 47.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -72.3 -41.52 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.68 133.29 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -42.91 127.65 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -58.28 -42.1 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 63' ' ' ASP . 52.7 p-10 -103.61 52.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD23 ' HA3' ' A' ' 30' ' ' GLY . 1.2 tp -78.28 139.9 38.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.69 -37.9 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -56.46 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 41' ' ' TYR . 86.3 mt -45.92 -46.03 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 68.9 mt -59.89 -66.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -45.22 -48.13 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.73 -49.48 7.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.4 t -72.28 -54.39 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -44.79 -53.82 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.47 -34.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CD1' ' A' ' 47' ' ' ILE . 53.5 mt -90.43 -39.36 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.9 mt -125.61 74.41 69.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.01 -29.37 8.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -47.0 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.25 155.86 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.22 151.04 22.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' HD12 ' A' ' 32' ' ' ILE . 15.7 mt-10 -56.33 -50.31 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.6 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.66 -41.96 2.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -81.22 -30.97 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 29' ' ' GLU . 33.6 mt -71.16 -34.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -71.26 -52.42 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.36 -53.82 16.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.578 ' HA ' HD13 ' A' ' 59' ' ' LEU . 4.1 m -51.19 -61.64 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 6.4 mt -43.82 -62.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 4.5 mt-10 -40.42 -48.07 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CG ' HD11 ' A' ' 59' ' ' LEU . 24.7 t80 -71.41 -34.78 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.762 ' CD2' HG22 ' A' ' 46' ' ' VAL . 36.3 m-85 -91.47 47.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 89.0 m-70 39.05 47.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.576 ' O ' HD13 ' A' ' 16' ' ' LEU . 43.0 m-85 43.52 43.84 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.634 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -111.19 131.04 22.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -55.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.1 -53.2 13.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -47.3 -57.27 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.762 HG22 ' CD2' ' A' ' 39' ' ' TYR . 89.7 t -48.48 -66.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.498 ' CD1' HD12 ' A' ' 23' ' ' LEU . 95.9 mt -48.02 -61.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -40.64 -54.44 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.563 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.8 m-80 -55.8 -69.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.903 HG12 HD11 ' A' ' 55' ' ' LEU . 21.6 mt -40.43 -44.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.04 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -80.16 3.36 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER 52.13 31.54 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -90.71 6.91 42.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.903 HD11 HG12 ' A' ' 50' ' ' ILE . 15.6 mt -40.84 132.61 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 160.01 2.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.13 21.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 m -94.31 -28.85 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 35' ' ' CYS . 23.7 mt -92.24 -44.15 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -56.24 -18.23 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -92.92 -30.5 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 62' ' ' LEU . 11.1 mt -50.99 156.89 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.2 110.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -24.03 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -117.55 46.59 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.6 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.1 tp -75.94 132.72 40.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.656 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.1 tt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -51.14 -53.64 32.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -51.29 -53.02 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -46.33 -38.35 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.661 HG12 HD12 ' A' ' 36' ' ' LEU . 90.2 mt -73.46 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -42.57 -47.23 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -47.8 -58.84 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.9 t -65.41 -53.79 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.537 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.08 -57.03 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -44.48 -35.31 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 47' ' ' ILE . 37.7 mt -83.3 -38.0 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.1 mt -126.09 73.91 71.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.419 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.96 -20.4 16.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -57.77 -43.7 85.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.75 167.41 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.98 144.2 16.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 20.3 mt-10 -48.24 -51.4 25.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.13 -44.65 2.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 29.5 t80 -78.97 -32.89 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.537 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 63.4 mt -68.42 -37.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.592 HD23 HD21 ' A' ' 13' ' ' LEU . 1.1 tm? -67.93 -52.51 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' N ' HD13 ' A' ' 33' ' ' LEU . . . -50.37 -53.05 32.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' HD13 ' A' ' 59' ' ' LEU . 59.1 m -51.98 -51.5 56.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 HG12 ' A' ' 17' ' ' ILE . 15.3 mt -52.02 -61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.93 -48.06 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' HD11 ' A' ' 59' ' ' LEU . 26.7 t80 -65.46 -43.37 90.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.69 ' CD2' HG22 ' A' ' 46' ' ' VAL . 39.3 m-85 -87.37 41.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 39.91 55.37 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.656 ' CE1' HD11 ' A' ' 13' ' ' LEU . 54.7 m-85 43.77 48.29 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.759 ' O ' HG23 ' A' ' 46' ' ' VAL . 74.6 m-20 -111.39 119.76 44.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -49.2 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.59 -49.91 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -52.22 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 42' ' ' ASP . 62.0 t -40.41 -60.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.482 ' CD1' HD12 ' A' ' 23' ' ' LEU . 95.5 mt -57.38 -60.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.2 m-80 -40.39 -53.02 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.639 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 27.9 m-80 -57.72 -64.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.886 HG12 HD11 ' A' ' 55' ' ' LEU . 31.3 mt -44.14 -38.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.85 -41.12 65.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 mm-40 -90.07 20.44 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 39.1 34.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 13.0 mtp85 -100.06 23.91 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.886 HD11 HG12 ' A' ' 50' ' ' ILE . 19.1 mt -61.93 121.2 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.4 157.34 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.16 18.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -30.13 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 35' ' ' CYS . 16.2 mt -91.2 -42.13 10.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -56.12 -30.76 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -79.39 -35.17 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -51.72 157.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.51 115.18 4.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.31 -24.22 18.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -117.43 41.26 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 30' ' ' GLY . 5.3 tp -66.96 151.43 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 41' ' ' TYR . 2.6 tt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.26 -49.96 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -48.33 -61.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -41.56 -51.72 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.712 HD11 HD23 ' A' ' 33' ' ' LEU . 89.7 mt -56.46 -68.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -43.93 -48.26 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -46.27 -50.96 15.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG23 ' HB3' ' A' ' 43' ' ' PRO . 93.9 t -69.3 -55.39 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.28 -53.88 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -45.37 -34.64 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 HD11 ' A' ' 47' ' ' ILE . 40.7 mt -87.36 -36.31 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' VAL . 77.4 mt -125.68 74.54 70.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -42.37 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 46.6 mt -76.09 165.8 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.94 141.52 15.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 12.1 mt-10 -46.3 -50.37 16.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 0.741 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.538 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.69 -44.64 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 37.5 t80 -79.0 -31.6 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 66.2 mt -69.74 -36.05 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.712 HD23 HD11 ' A' ' 17' ' ' ILE . 1.6 tm? -69.7 -52.06 28.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.17 -55.27 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . 16.7 m -50.38 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.9 mt -40.24 -58.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 20.8 mt-10 -45.53 -45.42 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.9 -32.44 65.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.585 ' CD2' HG22 ' A' ' 46' ' ' VAL . 51.0 m-85 -94.63 45.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 39.05 44.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 66.1 m-85 45.8 68.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.3 t0 -132.09 125.59 20.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HB3' HG23 ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.98 -26.04 11.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -54.27 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -49.39 -51.22 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 42' ' ' ASP . 65.9 t -53.42 -57.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 23' ' ' LEU . 96.7 mt -57.7 -65.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.33 -48.65 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 m-80 -58.25 -70.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.944 HG12 HD11 ' A' ' 55' ' ' LEU . 19.1 mt -41.25 -41.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.16 -49.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -79.18 2.98 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 mp0 53.3 28.52 7.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -94.04 20.48 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.944 HD11 HG12 ' A' ' 50' ' ' ILE . 24.0 mt -54.08 123.42 12.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.09 156.22 0.48 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.84 21.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 m -91.81 -29.62 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 mt -90.83 -43.04 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 t -57.66 -29.43 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 -32.82 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 62' ' ' LEU . 14.0 mt -55.27 159.39 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.0 112.47 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 8.8 mtm180 -51.9 -27.29 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -113.43 44.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 30' ' ' GLY . 5.0 tp -71.24 138.59 49.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD11 ' OH ' ' A' ' 41' ' ' TYR . 5.2 tt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -49.6 -39.35 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -58.83 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' ' 41' ' ' TYR . 71.9 mt -46.81 -50.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 83.9 mt -52.3 -67.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -46.53 -52.5 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -41.2 -44.44 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' A' ' 43' ' ' PRO . 45.1 t -72.28 -55.37 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HE2' ' CD1' ' A' ' 32' ' ' ILE . 1.9 ttmm -47.29 -49.01 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -46.05 -26.08 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 21' ' ' LYS . 37.6 mt -100.75 -30.95 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.1 mt -128.22 72.95 79.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.78 21.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.22 -47.71 67.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -72.24 167.45 20.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.94 145.32 16.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.8 mt-10 -46.46 -52.97 12.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 0.73 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.607 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.6 -45.77 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.616 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 67.5 t80 -77.8 -31.51 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 79.5 mt -69.43 -37.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -67.83 -52.29 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.83 -55.37 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.731 ' HB3' HG22 ' A' ' 46' ' ' VAL . 20.1 m -52.56 -64.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 17' ' ' ILE . 6.9 mt -40.5 -63.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.547 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -41.9 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.809 ' CG ' HD11 ' A' ' 59' ' ' LEU . 49.8 t80 -51.79 -46.88 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 59.5 m-85 -87.43 43.57 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 5.7 m170 39.94 59.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 56.6 m-85 37.78 55.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -113.23 116.5 46.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HB3' HG23 ' A' ' 20' ' ' VAL . 18.1 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.48 -59.05 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 35' ' ' CYS . 11.3 t -47.29 -58.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 51' ' ' LEU . 88.1 mt -54.78 -62.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -40.28 -57.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 45.8 m-80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.912 HG12 HD11 ' A' ' 55' ' ' LEU . 21.9 mt -43.79 -47.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 47' ' ' ILE . 7.7 mt -59.11 -46.9 87.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.12 21.66 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mt-10 39.45 33.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -100.0 39.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.912 HD11 HG12 ' A' ' 50' ' ' ILE . 12.6 mt -78.93 127.47 32.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.04 158.61 0.54 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 18.3 Cg_endo -74.98 -22.02 15.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -81.63 -38.49 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' A' ' 38' ' ' TYR . 12.2 mt -82.31 -46.05 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.0 t -56.12 -23.88 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 7.7 mm100 -74.67 -38.79 62.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.9 145.26 25.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -50.27 120.28 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -51.74 -36.84 48.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -107.48 50.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.4 tp -76.74 139.08 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.7 -46.58 81.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.57 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -46.08 -44.42 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.656 HD11 HD23 ' A' ' 33' ' ' LEU . 46.4 mt -65.55 -64.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 p -41.58 -50.87 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -47.63 -53.01 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' LEU . 82.9 t -67.63 -55.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.7 -49.02 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.63 -32.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . 69.2 mt -91.03 -32.92 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 83.0 mt -129.96 70.64 82.16 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -21.67 15.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -50.57 73.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 74.3 mt -64.87 153.76 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.36 134.01 12.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 10.3 mt-10 -43.17 -47.93 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.688 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.25 -45.86 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.459 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 62.5 t80 -77.05 -30.55 55.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 73.0 mt -70.51 -37.48 70.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.656 HD23 HD11 ' A' ' 17' ' ' ILE . 1.4 tm? -68.11 -53.86 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.94 -57.65 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.635 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.8 m -46.68 -63.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.7 mt -41.35 -59.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.526 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -43.18 -59.01 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CG ' HD11 ' A' ' 59' ' ' LEU . 43.2 t80 -52.79 -45.21 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.643 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 66.4 m-85 -87.58 40.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' TYR . 11.7 m-70 40.02 58.41 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 59.4 m-85 39.73 58.7 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 46' ' ' VAL . 66.7 m-20 -115.92 120.62 35.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.17 -49.44 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.433 ' NE2' ' OD2' ' A' ' 42' ' ' ASP . 52.2 mt-30 -55.71 -60.14 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 42' ' ' ASP . 99.4 t -42.23 -66.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.485 HG22 HD12 ' A' ' 51' ' ' LEU . 82.1 mt -52.99 -51.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.4 -55.18 7.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.643 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 21.7 m-80 -54.55 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.798 HG12 HD11 ' A' ' 55' ' ' LEU . 19.6 mt -40.88 -49.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 47' ' ' ILE . 6.0 mt -55.72 -48.22 75.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.1 mm-40 -89.82 20.91 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER 38.75 37.1 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -103.24 37.35 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.798 HD11 HG12 ' A' ' 50' ' ' ILE . 11.4 mt -75.36 131.71 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.51 156.4 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.47 20.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -92.73 -27.02 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 35' ' ' CYS . 17.4 mt -94.41 -47.13 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -53.66 -20.16 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.0 pt20 -90.65 -34.47 15.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 15.2 mt -50.06 162.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 120.15 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtt180 -58.61 -28.95 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -110.67 43.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.688 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.8 tp -71.38 145.82 49.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.494 HD21 HD23 ' A' ' 33' ' ' LEU . 5.4 tt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -58.66 -41.77 86.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -61.82 -56.14 22.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 41' ' ' TYR . 88.9 mt -40.59 -52.32 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 77.3 mt -58.37 -69.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -39.43 -46.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -52.11 -56.17 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.57 -53.14 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -47.01 -51.68 16.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.5 -26.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 47' ' ' ILE . 57.5 mt -98.37 -34.98 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -129.52 70.48 81.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.96 -34.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -53.57 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 39.4 mt -63.13 170.09 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.34 147.26 18.32 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.1 mt-10 -52.02 -50.92 60.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.779 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.85 -44.59 1.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.8 t80 -79.09 -33.51 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' GLU . 70.3 mt -68.07 -36.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -69.27 -52.67 25.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.36 -56.29 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.539 ' HA ' HD13 ' A' ' 59' ' ' LEU . 14.0 m -49.13 -64.25 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 46' ' ' VAL . 11.0 mt -40.46 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 41' ' ' TYR . 1.8 mt-10 -41.69 -58.11 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -53.55 -47.05 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 65.8 m-85 -86.46 45.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' TYR . 60.2 m-70 39.91 57.54 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.543 ' HB3' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 38.18 48.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' HG23 ' A' ' 46' ' ' VAL . 66.9 m-20 -104.35 115.24 63.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.58 9.9 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -43.41 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 24.1 mt-30 -65.63 -56.9 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 36' ' ' LEU . 34.9 t -40.53 -49.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.626 HG22 HD12 ' A' ' 51' ' ' LEU . 91.9 mt -68.07 -59.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.03 -49.31 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 12.9 m120 -51.7 -66.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.892 HG12 HD11 ' A' ' 55' ' ' LEU . 21.4 mt -49.97 -49.39 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.626 HD12 HG22 ' A' ' 47' ' ' ILE . 8.6 mt -53.49 -49.18 68.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.67 14.36 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 45.61 29.34 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.352 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -92.39 23.32 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.892 HD11 HG12 ' A' ' 50' ' ' ILE . 16.3 mt -56.3 126.03 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.89 2.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.91 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 m -95.16 -29.82 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 35' ' ' CYS . 9.5 mt -93.42 -46.28 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -54.57 -21.38 10.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -90.9 -25.03 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.8 168.27 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -70.25 104.7 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.7 mtm180 -44.35 -31.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -110.71 45.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.3 tp -71.19 140.58 50.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 13' ' ' LEU . 6.8 tt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.94 -44.66 95.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.7 -53.28 32.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -48.1 -50.35 28.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.444 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 83.9 mt -55.69 -70.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.0 t -42.72 -51.65 5.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -42.95 -49.17 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 86.7 t -72.09 -53.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' LEU . 5.7 tttt -45.45 -53.23 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.17 -33.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 57.7 mt -92.43 -34.49 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.3 mt -128.39 72.47 80.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.0 Cg_endo -75.08 -29.6 7.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -49.92 -46.61 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' A' ' 64' ' ' ARG . 44.3 mt -70.06 163.1 26.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.15 145.07 17.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 32' ' ' ILE . 27.3 mt-10 -48.67 -52.02 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.39 -43.53 2.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 59.2 t80 -80.23 -30.29 38.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 29' ' ' GLU . 38.1 mt -71.43 -35.4 56.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.507 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -70.26 -52.48 22.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -54.22 15.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.6 ' HB3' HG22 ' A' ' 46' ' ' VAL . 6.2 m -51.9 -62.31 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.8 mt -41.98 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -41.78 -60.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.839 ' CG ' HD11 ' A' ' 59' ' ' LEU . 41.0 t80 -51.64 -45.33 63.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 48.0 m-85 -88.1 43.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' TYR . 59.2 m-70 40.01 57.56 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.9 m-85 39.15 57.15 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -115.7 117.63 39.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -46.08 89.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -55.85 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 35' ' ' CYS . 37.9 t -46.57 -66.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -44.08 -59.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -46.19 -56.77 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 13.5 m-80 -50.67 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.888 HG12 HD11 ' A' ' 55' ' ' LEU . 21.4 mt -42.39 -47.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.19 -43.38 95.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mm-40 -87.72 14.16 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 21.4 mt-10 42.62 33.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -101.16 31.84 3.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.888 HD11 HG12 ' A' ' 50' ' ' ILE . 13.4 mt -67.16 126.22 28.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.57 160.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.18 12.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -82.09 -30.87 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 38' ' ' TYR . 21.7 mt -85.56 -47.41 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -55.19 -27.99 49.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -70.18 -40.6 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.47 132.28 39.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -42.21 123.65 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.525 ' HD2' HD21 ' A' ' 27' ' ' LEU . 7.0 mtm-85 -53.76 -32.38 52.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -111.15 52.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.5 tp -80.07 139.53 36.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 13' ' ' LEU . 7.1 tt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.35 -46.42 89.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -58.94 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.8 mt -41.59 -53.85 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 71.9 mt -48.7 -71.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -47.81 23.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.86 -55.57 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.91 -54.34 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 12.0 ttpt -45.49 -51.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 -33.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 mt -92.16 -34.36 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -128.92 72.15 81.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.03 -33.77 4.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.15 -51.51 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD13 ' CE2' ' A' ' 31' ' ' PHE . 67.2 mt -65.09 161.72 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.42 145.71 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 32' ' ' ILE . 16.1 mt-10 -51.04 -51.51 52.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.613 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.83 -44.08 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.591 ' CE2' HD13 ' A' ' 27' ' ' LEU . 41.1 t80 -79.48 -31.43 42.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 29' ' ' GLU . 42.7 mt -69.88 -34.6 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.539 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.6 tm? -71.62 -52.63 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.8 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -49.21 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' HG21 ' A' ' 46' ' ' VAL . 7.2 mt -40.45 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.5 mt-10 -42.41 -60.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.695 ' CG ' HD11 ' A' ' 59' ' ' LEU . 56.3 t80 -51.81 -44.85 63.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CZ ' ' CG ' ' A' ' 49' ' ' ASN . 65.1 m-85 -88.47 43.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 86.7 m-70 40.05 58.71 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.7 m-85 37.7 54.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.913 ' O ' HG23 ' A' ' 46' ' ' VAL . 71.4 m-20 -110.55 124.98 31.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.72 -51.48 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -51.28 -61.97 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 42' ' ' ASP . 88.2 t -40.77 -68.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.538 HG22 HD12 ' A' ' 51' ' ' LEU . 73.0 mt -47.26 -59.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -44.12 -58.28 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.543 ' CG ' ' CZ ' ' A' ' 39' ' ' TYR . 10.0 m120 -45.06 -65.21 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HD11 ' A' ' 55' ' ' LEU . 24.4 mt -49.19 -46.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 47' ' ' ILE . 11.3 mt -55.25 -49.62 71.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 19.02 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.58 34.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -97.69 36.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.739 HD11 HG12 ' A' ' 50' ' ' ILE . 12.1 mt -76.42 133.73 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -51.27 161.0 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -75.05 -11.42 21.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.49 -22.74 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.695 HD11 ' CG ' ' A' ' 38' ' ' TYR . 13.2 mt -95.2 -48.11 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -21.51 38.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.39 -31.3 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.33 162.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.88 112.82 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HD2' HD21 ' A' ' 27' ' ' LEU . 9.1 mtm180 -49.59 -35.65 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -110.17 54.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.613 HD23 ' HA3' ' A' ' 30' ' ' GLY . 2.2 tp -80.95 131.54 35.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD11 ' CE1' ' A' ' 41' ' ' TYR . 5.3 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -51.43 -46.63 63.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -53.16 57.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.551 HD22 ' HD3' ' A' ' 43' ' ' PRO . 38.6 mt -47.54 -57.55 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -45.05 -67.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.4 m -50.59 -54.21 24.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.99 -53.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -65.47 -56.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.5 tttp -44.11 -51.97 7.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -41.39 -35.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.4 -31.72 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 50' ' ' ILE . 73.2 mt -127.42 72.56 77.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.7 -55.55 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.648 HD13 ' HE2' ' A' ' 31' ' ' PHE . 33.0 mt -60.91 159.72 10.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.8 146.23 18.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 32.2 mt-10 -50.45 -51.66 44.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.629 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.32 -42.04 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.648 ' HE2' HD13 ' A' ' 27' ' ' LEU . 42.2 t80 -81.4 -33.4 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 77.7 mt -68.99 -34.06 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.6 tm? -71.56 -52.38 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.0 -55.78 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' TYR . 5.7 m -48.78 -66.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' HG ' HG21 ' A' ' 46' ' ' VAL . 11.4 mt -40.0 -55.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -49.7 -45.15 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 59' ' ' LEU . 10.1 t80 -76.05 -19.46 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 38.6 m-85 -109.0 47.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 27.3 m170 38.06 51.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.54 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 50.5 m-85 36.95 61.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -127.8 127.88 23.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HD3' HD22 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.99 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -46.55 -47.37 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 70.3 mt-30 -57.23 -60.95 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.6 t -40.47 -62.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.697 HG22 HD12 ' A' ' 51' ' ' LEU . 97.6 mt -53.4 -58.39 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -44.41 -49.17 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 13.8 m120 -54.87 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.522 HG12 HD11 ' A' ' 55' ' ' LEU . 23.9 mt -48.95 -56.86 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 HG22 ' A' ' 47' ' ' ILE . 6.4 mt -50.19 -46.75 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ARG . 4.3 mm-40 -88.9 18.36 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.2 mt-10 38.88 30.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.4 mtp180 -89.5 17.42 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG12 ' A' ' 50' ' ' ILE . 11.1 mt -51.51 136.71 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -63.92 163.94 19.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -74.95 -12.82 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.9 -33.56 12.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 38' ' ' TYR . 16.2 mt -83.5 -39.75 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t -59.22 -34.85 72.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -79.24 -32.33 43.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 59' ' ' LEU . 10.8 mt -50.95 154.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.99 105.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -44.96 -34.46 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.03 56.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.629 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.5 tp -83.0 141.28 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 33' ' ' LEU . 1.6 tt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -41.73 -43.57 2.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -48.92 -56.65 8.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -52.17 -60.69 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.528 HG21 ' OE1' ' A' ' 29' ' ' GLU . 89.5 mt -44.24 -69.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.5 p -44.9 -56.1 4.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -43.26 -56.12 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.5 t -65.28 -53.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.18 -56.19 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -44.19 -30.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' VAL . 45.0 mt -89.31 -38.02 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt -128.42 72.09 80.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -25.29 12.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -54.96 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.06 163.47 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.66 141.16 15.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.593 ' HA ' HD12 ' A' ' 32' ' ' ILE . 9.8 mt-10 -49.63 -50.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.498 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.84 -45.77 2.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.644 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 51.5 t80 -77.87 -30.89 51.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 29' ' ' GLU . 42.5 mt -69.72 -36.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.1 tm? -68.55 -53.43 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' HD13 ' A' ' 33' ' ' LEU . . . -47.1 -54.31 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 m -49.31 -62.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.479 ' HG ' HG21 ' A' ' 46' ' ' VAL . 6.8 mt -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.506 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.3 mt-10 -43.94 -51.63 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.812 ' CG ' HD11 ' A' ' 59' ' ' LEU . 35.3 t80 -63.01 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 64.9 m-85 -87.29 42.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 39.95 56.41 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.7 m-85 39.39 52.13 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 46' ' ' VAL . 74.8 m-20 -110.87 124.16 33.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.427 1.751 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.37 -49.64 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 46.7 mt-30 -53.02 -61.55 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.3 t -41.02 -65.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -50.69 -55.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.76 -55.69 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' TYR . 8.5 m120 -50.75 -65.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.951 HG12 HD11 ' A' ' 55' ' ' LEU . 20.0 mt -45.73 -53.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.77 -48.15 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.07 16.39 6.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.69 33.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -98.05 32.85 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.951 HD11 HG12 ' A' ' 50' ' ' ILE . 16.3 mt -71.13 121.15 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -43.64 162.08 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.3 Cg_endo -75.03 -34.43 3.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -68.54 -26.07 65.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.812 HD11 ' CG ' ' A' ' 38' ' ' TYR . 7.2 mt -95.2 -43.62 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -58.16 -16.76 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 14.9 mm-40 -83.18 -41.47 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.0 mt -50.77 148.87 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -56.06 120.24 7.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -54.67 -27.3 39.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -115.21 57.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.498 HD23 ' HA3' ' A' ' 30' ' ' GLY . 1.5 tp -86.66 142.54 28.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.2 tt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.66 -42.04 95.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -55.18 -55.51 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 41' ' ' TYR . 77.6 mt -46.97 -43.35 19.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 93.3 mt -60.57 -58.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -55.67 -40.51 72.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -49.26 -51.38 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 43' ' ' PRO . 70.9 t -69.7 -54.81 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 ttpp -46.28 -50.07 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -43.15 -30.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.4 mp -100.34 -30.28 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' LYS . 88.8 mt -128.6 73.46 80.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.67 11.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.0 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.547 HD21 ' HD2' ' A' ' 64' ' ' ARG . 75.9 mt -59.5 153.99 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.8 138.42 14.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 21.5 mt-10 -43.07 -51.71 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.597 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . -38.13 -46.03 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.7 t80 -77.71 -34.3 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 76.1 mt -66.75 -36.62 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -69.27 -53.32 20.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.49 -55.22 11.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.732 ' HB3' HG22 ' A' ' 46' ' ' VAL . 12.3 m -49.62 -64.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' TYR . 17.3 mt -40.38 -63.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.5 mt-10 -41.85 -56.62 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -61.07 -37.91 84.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 43.6 m-85 -91.38 46.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 10.1 m170 37.69 52.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.77 66.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.05 122.16 20.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 18.4 Cg_endo -75.05 -22.27 14.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.74 -46.54 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 7.5 mt-30 -57.17 -53.79 54.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.732 HG22 ' HB3' ' A' ' 35' ' ' CYS . 55.7 t -49.58 -51.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 51' ' ' LEU . 97.1 mt -62.19 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -40.2 -52.88 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.569 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 6.7 m-80 -57.61 -66.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.614 HG13 HD21 ' A' ' 55' ' ' LEU . 40.1 mt -42.7 -46.26 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 47' ' ' ILE . 5.6 mt -65.09 -41.23 95.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mm-40 -89.64 19.17 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 38.79 30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.0 mtp180 -94.22 17.6 12.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 HG13 ' A' ' 50' ' ' ILE . 10.6 mt -49.41 129.78 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.67 156.2 1.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -11.73 21.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -95.05 -28.32 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 35' ' ' CYS . 15.9 mt -90.17 -47.48 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -52.98 -22.48 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -90.86 -26.45 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.51 159.74 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.29 111.4 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HD2' HD21 ' A' ' 27' ' ' LEU . 15.3 mtm-85 -52.76 -27.0 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -114.14 48.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.597 HD23 ' CA ' ' A' ' 30' ' ' GLY . 2.2 tp -77.07 140.2 40.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.98 -35.2 70.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -60.62 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.13 -50.67 11.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 85.2 mt -54.87 -67.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -39.46 -52.14 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -46.92 -55.78 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.6 t -66.42 -55.14 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.0 -54.66 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.49 -35.38 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.5 mt -84.0 -37.19 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.8 mt -127.61 73.58 78.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.06 -23.65 13.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.8 -50.43 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 31' ' ' PHE . 48.9 mt -64.66 165.36 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.35 140.8 15.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 6.9 mt-10 -45.51 -52.12 10.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.69 -44.29 2.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.448 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 39.3 t80 -79.21 -31.85 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.508 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.4 mt -69.8 -35.52 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -70.44 -54.7 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.33 7.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.497 ' HB3' HG22 ' A' ' 46' ' ' VAL . 1.5 m -50.83 -63.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' TYR . 7.8 mt -41.65 -63.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.573 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.1 mt-10 -43.21 -62.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CG ' HD11 ' A' ' 59' ' ' LEU . 14.2 t80 -56.86 -27.65 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 27.8 m-85 -102.63 48.33 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 31.5 m-70 38.01 52.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 38.6 m-85 37.46 53.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.86 129.08 25.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.93 -56.23 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -41.99 -55.28 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 50' ' ' ILE . 76.9 t -57.24 -69.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 51' ' ' LEU . 74.5 mt -40.1 -52.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.38 -59.38 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 18.6 m-80 -48.88 -67.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.823 HG12 HD11 ' A' ' 55' ' ' LEU . 31.4 mt -40.59 -49.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 47' ' ' ILE . 5.3 mt -57.23 -46.84 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -89.87 20.38 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 tt0 39.92 31.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -96.32 35.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.823 HD11 HG12 ' A' ' 50' ' ' ILE . 12.2 mt -74.39 129.0 36.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.3 154.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.2 17.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.93 -27.23 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 35' ' ' CYS . 13.8 mt -95.33 -46.67 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -29.51 29.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.7 pt20 -77.98 -40.1 40.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 17.3 mt -46.8 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.93 114.05 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 11.8 mtt-85 -54.31 -28.94 45.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -113.48 42.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.591 HD23 ' HA3' ' A' ' 30' ' ' GLY . 2.6 tp -67.15 127.91 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -52.53 -47.63 66.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -56.68 -57.29 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -40.85 -55.55 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 81.3 mt -56.08 -70.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -39.51 -51.73 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.85 -52.9 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' A' ' 47' ' ' ILE . 75.4 t -66.94 -57.16 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 5.5 ttpt -43.73 -56.28 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.23 -34.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.8 mt -88.86 -39.07 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.9 mt -125.93 74.02 70.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.93 -27.38 10.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -44.05 72.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.87 154.91 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.84 17.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 32' ' ' ILE . 11.1 mt-10 -47.88 -51.34 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.819 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.04 -47.96 1.97 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -76.01 -33.7 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 29' ' ' GLU . 36.4 mt -66.7 -37.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.3 tm? -68.51 -53.09 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.97 -58.48 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.601 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.0 m -45.98 -63.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.8 mt -41.39 -63.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.32 -60.01 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CG ' HD11 ' A' ' 59' ' ' LEU . 26.3 t80 -46.93 -48.1 21.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 46' ' ' VAL . 65.9 m-85 -90.19 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' TYR . 27.9 m-70 39.91 62.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.37 57.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 12.7 t0 -116.4 118.53 37.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -57.44 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -42.92 -61.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 39' ' ' TYR . 53.9 t -47.98 -72.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 20' ' ' VAL . 57.6 mt -40.63 -47.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.72 -49.47 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.3 m-80 -58.57 -58.94 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.834 HG12 HD11 ' A' ' 55' ' ' LEU . 88.2 mt -48.47 -34.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 51' ' ' LEU . 6.5 mt -77.5 -40.19 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.22 20.72 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 15.4 mt-10 39.0 38.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -102.86 15.87 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.834 HD11 HG12 ' A' ' 50' ' ' ILE . 16.6 mt -51.37 120.13 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -44.95 156.19 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -11.66 21.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -95.68 -27.25 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 35' ' ' CYS . 23.3 mt -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -59.54 -29.46 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -80.65 -34.02 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 59' ' ' LEU . 16.8 mt -50.44 164.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.74 115.27 9.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -56.46 -20.92 22.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -114.06 26.35 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.819 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.0 tp -55.87 140.12 43.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.79 -44.85 96.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -50.58 -54.48 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 mt -49.13 -49.58 41.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.503 HD11 HD23 ' A' ' 33' ' ' LEU . 94.9 mt -53.71 -66.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -47.37 -50.77 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -43.8 -55.17 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 80.6 t -65.53 -52.46 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -45.28 -53.77 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.09 -34.63 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 58.3 mt -86.1 -35.41 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' LYS . 90.2 mt -130.23 73.27 81.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -29.68 8.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -50.66 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 31' ' ' PHE . 39.0 mt -66.66 165.08 15.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.14 146.15 18.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 21.2 mt-10 -50.04 -50.65 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.657 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.48 -43.2 2.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 27' ' ' LEU . 58.1 t80 -80.18 -32.96 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.526 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.5 mt -68.98 -35.29 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 17' ' ' ILE . 1.2 tm? -70.51 -53.29 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.97 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.435 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.5 m -48.11 -58.98 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.0 mt -45.22 -60.83 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.91 -59.21 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.679 ' CG ' HD11 ' A' ' 59' ' ' LEU . 35.3 t80 -46.59 -50.42 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 70.5 m-85 -87.4 41.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 40.08 64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.603 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' LEU . 60.1 m-85 37.74 66.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.805 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.3 t0 -125.29 121.99 25.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -60.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.35 -62.01 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 25.5 mt-30 -40.59 -57.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 42' ' ' ASP . 94.9 t -52.3 -72.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.535 HG22 HD12 ' A' ' 51' ' ' LEU . 32.9 mt -40.42 -45.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -65.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.515 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 m-80 -42.23 -67.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.867 HG12 HD11 ' A' ' 55' ' ' LEU . 13.9 mt -42.89 -44.43 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.535 HD12 HG22 ' A' ' 47' ' ' ILE . 5.5 mt -62.85 -45.42 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.64 19.57 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mt-10 39.1 35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -105.35 36.57 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.867 HD11 HG12 ' A' ' 50' ' ' ILE . 12.6 mt -71.44 137.85 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.12 158.66 6.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -7.4 19.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -95.25 -30.38 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 38' ' ' TYR . 13.3 mt -90.73 -47.69 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -53.01 -32.63 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.9 pt20 -78.23 -40.61 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 62' ' ' LEU . 11.9 mt -44.3 158.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.66 114.78 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -53.24 -33.86 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -108.8 50.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.5 tp -78.0 141.09 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.5 tt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -49.95 -45.96 51.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -57.24 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -47.93 -53.76 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.411 HD11 HD23 ' A' ' 33' ' ' LEU . 85.2 mt -50.92 -63.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.5 m -49.63 -53.31 24.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 2.5 mt-30 -44.89 -51.15 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.41 -53.38 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HG3' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -47.01 -49.9 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.36 -28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 19' ' ' GLN . 6.8 mp -99.9 -28.21 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.4 mt -131.29 70.87 82.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.13 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -45.64 -51.23 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.03 167.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.24 141.48 15.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 32' ' ' ILE . 9.3 mt-10 -47.07 -52.35 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -40.65 -41.74 2.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 69.3 t80 -81.74 -30.69 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 21' ' ' LYS . 85.2 mt -71.82 -34.38 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.6 tm? -70.97 -52.48 19.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.1 -54.65 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HA ' HD13 ' A' ' 59' ' ' LEU . 3.2 m -52.11 -60.67 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.8 mt -43.18 -61.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -43.21 -56.95 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.657 ' CG ' HD11 ' A' ' 59' ' ' LEU . 27.4 t80 -51.64 -47.02 63.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 71.2 m-85 -87.56 40.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m170 40.35 57.67 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' HD11 ' A' ' 13' ' ' LEU . 55.8 m-85 42.9 57.32 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.881 ' O ' HG23 ' A' ' 46' ' ' VAL . 14.5 t0 -113.99 121.94 35.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -60.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -56.57 5.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -47.76 -61.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 42' ' ' ASP . 69.6 t -41.42 -68.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 51' ' ' LEU . 79.3 mt -48.34 -53.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.34 -60.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.519 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 40.4 m-80 -47.9 -68.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.899 HG12 HD11 ' A' ' 55' ' ' LEU . 20.9 mt -41.53 -46.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.497 HD12 HG22 ' A' ' 47' ' ' ILE . 4.5 mt -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.73 19.51 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 38.84 38.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -100.99 23.26 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.899 HD11 HG12 ' A' ' 50' ' ' ILE . 13.9 mt -59.34 126.37 27.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -48.4 169.09 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.4 Cg_endo -74.97 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.657 HD11 ' CG ' ' A' ' 38' ' ' TYR . 21.4 mt -74.84 -47.44 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 t -57.23 -18.07 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -82.43 -41.32 20.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.27 144.82 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.71 130.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -32.81 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -110.06 51.22 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.405 HD23 ' HA3' ' A' ' 30' ' ' GLY . 3.1 tp -76.3 129.99 37.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 ' CE1' ' A' ' 41' ' ' TYR . 5.1 tt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.32 -46.52 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -62.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.564 HD22 ' HG3' ' A' ' 43' ' ' PRO . 49.3 mt -42.92 -58.22 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 95.9 mt -47.54 -66.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -47.24 -51.01 20.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -46.83 -47.04 21.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.06 -54.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 4.9 tttt -46.16 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -44.89 -30.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.418 HD12 HD13 ' A' ' 47' ' ' ILE . 54.0 mt -92.65 -34.11 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.1 mt -129.7 70.59 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.8 -47.53 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.502 HD21 ' HD2' ' A' ' 64' ' ' ARG . 59.4 mt -69.64 162.73 27.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 140.04 14.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG3' ' CD ' ' A' ' 21' ' ' LYS . 20.8 mt-10 -44.16 -50.14 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.718 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.46 -44.58 2.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 27' ' ' LEU . 60.4 t80 -79.06 -32.32 44.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 69.1 mt -69.13 -35.87 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -69.77 -52.85 21.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -56.34 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.52 -56.61 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.2 mt -46.71 -58.3 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.1 -50.05 20.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.933 ' CG ' HD11 ' A' ' 59' ' ' LEU . 28.3 t80 -60.75 -42.91 98.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.649 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 64.1 m-85 -91.56 41.26 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 13.9 m-70 39.69 62.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.503 ' CE1' HD11 ' A' ' 13' ' ' LEU . 59.6 m-85 37.71 55.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.891 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t0 -112.6 122.12 37.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG3' HD22 ' A' ' 16' ' ' LEU . 18.1 Cg_endo -75.05 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -59.23 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -43.45 -60.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.9 t -42.23 -70.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.418 HD13 HD12 ' A' ' 23' ' ' LEU . 60.7 mt -45.57 -63.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -41.01 -59.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 11.6 m-80 -46.54 -63.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.986 HG12 HD11 ' A' ' 55' ' ' LEU . 20.0 mt -40.32 -55.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.7 -43.29 72.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.445 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 mm-40 -88.07 16.39 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ASN . 22.5 mt-10 38.62 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 29.5 mtt-85 -82.89 0.12 45.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.986 HD11 HG12 ' A' ' 50' ' ' ILE . 96.6 mt -48.2 123.16 6.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 60' ' ' SER . . . -51.9 157.71 1.96 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -97.0 -26.19 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.933 HD11 ' CG ' ' A' ' 38' ' ' TYR . 8.9 mt -95.95 -48.02 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -58.92 -25.49 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' OE1' ' A' ' 61' ' ' GLN . 1.0 OUTLIER -78.59 -28.29 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 59' ' ' LEU . 43.5 mt -62.11 163.2 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 119.9 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.502 ' HD2' HD21 ' A' ' 27' ' ' LEU . 9.9 mtm-85 -59.96 -25.97 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.51 31.88 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.718 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.6 tp -58.83 145.42 40.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD21 HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -41.97 -44.4 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -45.19 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 43' ' ' PRO . 37.8 mt -51.83 -55.51 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.799 HG21 ' OE1' ' A' ' 29' ' ' GLU . 81.2 mt -50.71 -68.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -43.68 -52.81 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -45.17 -53.02 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' LEU . 54.1 t -69.08 -53.61 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -44.89 -54.95 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.17 -32.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 47.4 mt -90.22 -37.14 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt -129.27 72.32 81.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -27.23 10.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.0 -51.87 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 31' ' ' PHE . 52.4 mt -65.39 158.81 25.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.48 137.9 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.799 ' OE1' HG21 ' A' ' 17' ' ' ILE . 15.2 mt-10 -45.85 -50.73 13.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.477 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.46 -44.71 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' CE2' HD13 ' A' ' 27' ' ' LEU . 17.7 t80 -78.85 -32.13 45.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 29' ' ' GLU . 41.7 mt -68.97 -35.41 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 13' ' ' LEU . 1.4 tm? -70.39 -52.62 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.14 -55.95 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.4 m -49.57 -52.84 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.1 mt -50.17 -60.66 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.4 mt-10 -43.18 -59.65 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CG ' HD11 ' A' ' 59' ' ' LEU . 22.7 t80 -47.52 -49.71 25.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 56.9 m-85 -86.83 43.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 40.69 59.43 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.1 m-85 39.82 55.53 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.833 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 t0 -111.29 120.98 41.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG3' HD22 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.04 -59.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.37 -56.84 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -46.48 -61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 42' ' ' ASP . 95.8 t -44.75 -68.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 20' ' ' VAL . 56.6 mt -45.66 -53.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.95 -58.74 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.532 ' ND2' ' CZ ' ' A' ' 39' ' ' TYR . 42.6 m-80 -46.47 -66.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.641 HG12 HD11 ' A' ' 55' ' ' LEU . 21.7 mt -40.94 -52.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.23 -47.44 65.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -89.08 17.88 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.6 mm-40 38.88 36.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -101.24 33.79 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.641 HD11 HG12 ' A' ' 50' ' ' ILE . 11.3 mt -73.42 131.08 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.01 158.14 0.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -8.34 19.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.6 m -94.26 -28.11 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 38' ' ' TYR . 14.3 mt -92.83 -42.57 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -59.27 -29.56 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -78.82 -37.73 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 62' ' ' LEU . 13.3 mt -46.11 159.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.27 109.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.63 -32.12 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -112.98 55.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.7 tp -81.73 137.06 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.3 tt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -47.57 -51.27 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 t -54.15 -52.32 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.2 mt -43.52 -54.32 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 84.9 mt -56.17 -68.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -41.16 -51.7 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.27 -56.02 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' LEU . 69.9 t -63.84 -53.33 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -46.29 -52.93 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -46.03 -29.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 50.5 mt -93.54 -35.33 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . 97.8 mt -131.16 72.45 81.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.57 9.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -45.11 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.624 HD13 ' CE1' ' A' ' 31' ' ' PHE . 47.4 mt -69.55 160.55 31.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.34 136.54 12.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.7 mt-10 -39.96 -51.7 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.79 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.31 -47.33 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' ' 27' ' ' LEU . 13.3 t80 -76.79 -33.26 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 60.1 mt -67.26 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -68.21 -52.41 34.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.42 -54.76 19.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.562 ' HA ' HD13 ' A' ' 59' ' ' LEU . 45.2 m -49.74 -61.42 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.5 mt -43.6 -60.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.5 -55.23 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -53.54 -49.28 67.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 73.0 m-85 -86.65 42.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 39.61 63.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.563 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 13' ' ' LEU . 58.8 m-85 37.77 57.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.852 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.4 t0 -115.91 122.86 31.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -60.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -60.96 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -42.24 -58.59 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 42' ' ' ASP . 66.5 t -43.04 -72.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 51' ' ' LEU . 47.0 mt -47.96 -47.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -54.05 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.481 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 14.3 m-80 -57.83 -60.37 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.573 ' CG1' HD21 ' A' ' 55' ' ' LEU . 21.3 mt -46.22 -49.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.501 HD12 HG22 ' A' ' 47' ' ' ILE . 5.2 mt -60.38 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.55 19.15 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 tt0 40.26 33.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 14.3 mtp-105 -94.55 13.2 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.573 HD21 ' CG1' ' A' ' 50' ' ' ILE . 10.9 mt -44.92 124.57 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.595 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -51.26 161.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.4 Cg_endo -75.0 -13.28 21.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -96.05 -30.77 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.595 ' HG ' ' HB3' ' A' ' 56' ' ' ALA . 20.2 mt -85.1 -41.39 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 t -59.45 -41.02 88.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -69.54 -38.43 77.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 62' ' ' LEU . 11.4 mt -47.28 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 109.92 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.5 mtm180 -49.14 -27.71 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -112.84 39.71 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.79 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.2 tp -69.07 140.09 54.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -174.4 91.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.992 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -76.76 135.0 38.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.62 128.83 7.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -121.77 120.98 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -96.88 91.32 5.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.76 -102.34 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.0 ttp 55.16 76.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.6 t -174.48 80.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.54 -84.67 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 t -78.15 -62.94 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.439 0.729 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -40.08 -56.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.79 -54.97 4.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.91 -50.46 61.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -47.2 -57.77 4.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 41' ' ' TYR . 95.5 mt -44.96 -63.01 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 97.6 mt -41.8 -69.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -40.93 -48.95 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.98 -60.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 79.1 t -61.0 -54.49 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 6.1 ttpt -44.18 -54.94 5.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.06 -34.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 47' ' ' ILE . 59.4 mt -89.57 -37.76 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.7 mt -128.38 73.23 80.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.02 -30.71 6.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.78 -50.9 31.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 31' ' ' PHE . 57.0 mt -64.55 154.76 35.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.4 142.97 19.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 32' ' ' ILE . 14.4 mt-10 -47.36 -50.67 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.55 -44.43 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CE2' HD13 ' A' ' 27' ' ' LEU . 36.7 t80 -79.22 -32.11 43.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.771 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 29' ' ' GLU . 40.3 mt -69.31 -35.59 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -70.27 -52.69 21.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -55.32 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LEU . 5.5 m -49.27 -64.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' HG21 ' A' ' 46' ' ' VAL . 4.9 mt -40.2 -59.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.6 mt-10 -45.56 -50.52 13.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.4 ' CG ' HD11 ' A' ' 59' ' ' LEU . 8.4 t80 -68.44 -24.77 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.708 ' CD2' HG22 ' A' ' 46' ' ' VAL . 37.6 m-85 -103.13 47.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 39' ' ' TYR . 29.1 m-70 39.5 43.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 42.0 m-85 47.0 50.47 13.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -115.48 129.93 24.72 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.97 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.428 1.752 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.19 -51.0 65.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -50.86 -62.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 42' ' ' ASP . 98.3 t -40.68 -65.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.624 ' CD1' HD12 ' A' ' 23' ' ' LEU . 62.1 mt -51.94 -58.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -41.61 -53.22 3.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.628 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.0 m-80 -56.03 -60.79 2.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.886 HG12 HD11 ' A' ' 55' ' ' LEU . 90.3 mt -48.11 -55.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD12 HG22 ' A' ' 47' ' ' ILE . 6.3 mt -56.05 -42.1 76.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 2.3 mm-40 -88.45 17.0 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.7 mt-10 38.76 31.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' GLU . 13.2 mtp85 -93.3 16.23 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.886 HD11 HG12 ' A' ' 50' ' ' ILE . 23.6 mt -53.96 124.57 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -50.1 161.09 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -75.05 -11.5 21.39 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.466 1.771 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -93.96 -25.58 17.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CG ' ' A' ' 38' ' ' TYR . 20.0 mt -93.22 -48.3 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -54.36 -22.4 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -91.24 -34.88 14.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mt -47.28 164.4 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.83 106.89 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.97 -26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -114.36 45.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.618 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.1 tp -74.15 138.31 43.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -99.6 169.13 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -101.04 122.09 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.39 114.87 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 60.1 156.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.49 121.3 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m 59.62 91.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.15 118.74 0.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.112 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -151.17 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.17 103.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.08 -128.89 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.93 83.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -178.52 64.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.88 -87.37 0.08 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -80.15 -62.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.747 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -39.54 -54.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -43.01 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -46.86 -45.39 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -57.65 3.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.962 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD22 ' HD3' ' A' ' 43' ' ' PRO . 20.0 mt -53.17 -57.66 9.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.459 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 69.0 mt -43.5 -66.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -53.03 -53.05 55.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -38.82 -56.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 43' ' ' PRO . 91.5 t -64.14 -54.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 8.5 ttpt -43.95 -55.43 4.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.86 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.2 mt -90.88 -38.95 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 86.8 mt -127.34 72.78 77.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.51 9.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.8 -53.05 16.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.41 168.23 4.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.59 142.07 15.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 32' ' ' ILE . 56.7 mt-10 -44.56 -52.14 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.666 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -40.0 -44.22 2.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.638 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 80.5 t80 -79.4 -30.99 42.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 81.0 mt -70.52 -36.33 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -69.59 -53.34 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.97 -56.25 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.757 ' HB3' HG22 ' A' ' 46' ' ' VAL . 5.0 m -48.11 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.256 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 41' ' ' TYR . 14.6 mt -40.07 -64.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -38.55 -60.51 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.665 ' CG ' HD11 ' A' ' 59' ' ' LEU . 34.4 t80 -59.93 -39.1 84.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 34.0 m-85 -87.86 47.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' TYR . 7.5 m-70 37.84 52.3 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 44.2 m-85 37.47 57.27 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.75 128.77 24.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD3' HD22 ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.94 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.12 -45.37 11.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -56.34 -59.68 4.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 35' ' ' CYS . 55.7 t -48.15 -65.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.722 HG22 HD12 ' A' ' 51' ' ' LEU . 51.6 mt -46.33 -63.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' ILE . 3.4 m-80 -40.16 -62.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 10.0 m-80 -47.19 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.938 HG12 HD11 ' A' ' 55' ' ' LEU . 21.8 mt -47.18 -57.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.722 HD12 HG22 ' A' ' 47' ' ' ILE . 3.8 mt -48.48 -47.45 38.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.8 17.99 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.7 mm-40 38.71 39.58 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -102.29 27.06 7.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.938 HD11 HG12 ' A' ' 50' ' ' ILE . 16.4 mt -65.67 124.11 21.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -45.16 168.15 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.3 Cg_endo -74.99 -42.86 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.1 m -62.55 -48.42 79.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.665 HD11 ' CG ' ' A' ' 38' ' ' TYR . 20.9 mt -67.34 -47.14 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t -54.36 -29.1 47.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -72.3 -41.52 66.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.68 133.29 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -42.91 127.65 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -58.28 -42.1 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 63' ' ' ASP . 52.7 p-10 -103.61 52.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD23 ' HA3' ' A' ' 30' ' ' GLY . 1.2 tp -78.28 139.9 38.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -101.66 169.04 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' HE ' HD13 ' A' ' 17' ' ' ILE . 1.5 mtm105 -103.28 -54.72 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -113.67 110.84 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 70.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.34 112.31 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 180.0 153.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.04 82.77 1.42 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.459 1.1 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m 63.39 129.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -101.02 100.19 10.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.24 -125.15 6.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -177.38 90.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.8 p -179.57 127.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.61 -132.73 11.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m -46.79 -36.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -52.16 -51.52 57.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -53.19 -60.89 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.69 -37.9 66.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -56.46 21.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.074 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 41' ' ' TYR . 86.3 mt -45.92 -46.03 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 68.9 mt -59.89 -66.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -45.22 -48.13 12.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -43.73 -49.48 7.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.4 t -72.28 -54.39 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -44.79 -53.82 7.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.47 -34.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CD1' ' A' ' 47' ' ' ILE . 53.5 mt -90.43 -39.36 12.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.9 mt -125.61 74.41 69.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.01 -29.37 8.28 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.71 -47.0 64.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.25 155.86 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.22 151.04 22.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.495 ' HA ' HD12 ' A' ' 32' ' ' ILE . 15.7 mt-10 -56.33 -50.31 71.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.6 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.66 -41.96 2.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -81.22 -30.97 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 29' ' ' GLU . 33.6 mt -71.16 -34.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -71.26 -52.42 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.36 -53.82 16.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.578 ' HA ' HD13 ' A' ' 59' ' ' LEU . 4.1 m -51.19 -61.64 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 108.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 6.4 mt -43.82 -62.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 4.5 mt-10 -40.42 -48.07 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' CG ' HD11 ' A' ' 59' ' ' LEU . 24.7 t80 -71.41 -34.78 70.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.762 ' CD2' HG22 ' A' ' 46' ' ' VAL . 36.3 m-85 -91.47 47.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 89.0 m-70 39.05 47.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.576 ' O ' HD13 ' A' ' 16' ' ' LEU . 43.0 m-85 43.52 43.84 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.634 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -111.19 131.04 22.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -55.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.1 -53.2 13.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -47.3 -57.27 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.762 HG22 ' CD2' ' A' ' 39' ' ' TYR . 89.7 t -48.48 -66.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.498 ' CD1' HD12 ' A' ' 23' ' ' LEU . 95.9 mt -48.02 -61.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -40.64 -54.44 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.563 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 7.8 m-80 -55.8 -69.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.903 HG12 HD11 ' A' ' 55' ' ' LEU . 21.6 mt -40.43 -44.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.04 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -80.16 3.36 20.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER 52.13 31.54 9.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mmm-85 -90.71 6.91 42.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.903 HD11 HG12 ' A' ' 50' ' ' ILE . 15.6 mt -40.84 132.61 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.1 160.01 2.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -10.13 21.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 m -94.31 -28.85 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 35' ' ' CYS . 23.7 mt -92.24 -44.15 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 t -56.24 -18.23 9.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -92.92 -30.5 15.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 62' ' ' LEU . 11.1 mt -50.99 156.89 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.2 110.46 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.26 -24.03 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -117.55 46.59 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.6 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.1 tp -75.94 132.72 40.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -92.85 169.05 10.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' NH1' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -100.65 -58.47 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -130.49 141.3 50.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.0 95.89 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.56 90.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 62.04 84.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 -79.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -134.21 121.64 21.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -148.24 123.8 10.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.93 79.27 1.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -131.67 148.42 52.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 20.9 p 177.99 145.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.273 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.5 -94.66 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -76.02 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -43.86 -57.88 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.656 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.1 tt -40.57 -51.01 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -51.14 -53.64 32.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.2 m -51.29 -53.02 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -46.33 -38.35 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.661 HG12 HD12 ' A' ' 36' ' ' LEU . 90.2 mt -73.46 -65.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 p -42.57 -47.23 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -47.8 -58.84 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' LEU . 56.9 t -65.41 -53.79 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.537 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.08 -57.03 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -44.48 -35.31 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 47' ' ' ILE . 37.7 mt -83.3 -38.0 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.1 mt -126.09 73.91 71.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.419 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.96 -20.4 16.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -57.77 -43.7 85.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.75 167.41 21.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.98 144.2 16.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' ILE . 20.3 mt-10 -48.24 -51.4 25.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.13 -44.65 2.13 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 29.5 t80 -78.97 -32.89 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.537 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 63.4 mt -68.42 -37.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.592 HD23 HD21 ' A' ' 13' ' ' LEU . 1.1 tm? -67.93 -52.51 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' N ' HD13 ' A' ' 33' ' ' LEU . . . -50.37 -53.05 32.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' HD13 ' A' ' 59' ' ' LEU . 59.1 m -51.98 -51.5 56.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 HG12 ' A' ' 17' ' ' ILE . 15.3 mt -52.02 -61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.93 -48.06 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' HD11 ' A' ' 59' ' ' LEU . 26.7 t80 -65.46 -43.37 90.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.69 ' CD2' HG22 ' A' ' 46' ' ' VAL . 39.3 m-85 -87.37 41.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 39.91 55.37 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.596 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.656 ' CE1' HD11 ' A' ' 13' ' ' LEU . 54.7 m-85 43.77 48.29 6.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.759 ' O ' HG23 ' A' ' 46' ' ' VAL . 74.6 m-20 -111.39 119.76 44.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -49.2 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.59 -49.91 61.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -52.22 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 42' ' ' ASP . 62.0 t -40.41 -60.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.482 ' CD1' HD12 ' A' ' 23' ' ' LEU . 95.5 mt -57.38 -60.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 52' ' ' GLU . 4.2 m-80 -40.39 -53.02 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.639 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 27.9 m-80 -57.72 -64.48 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.886 HG12 HD11 ' A' ' 55' ' ' LEU . 31.3 mt -44.14 -38.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.85 -41.12 65.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 mm-40 -90.07 20.44 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 39.1 34.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 13.0 mtp85 -100.06 23.91 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.886 HD11 HG12 ' A' ' 50' ' ' ILE . 19.1 mt -61.93 121.2 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.4 157.34 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -7.16 18.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 m -95.26 -30.13 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 35' ' ' CYS . 16.2 mt -91.2 -42.13 10.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -56.12 -30.76 62.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -79.39 -35.17 41.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -51.72 157.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.51 115.18 4.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.31 -24.22 18.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -117.43 41.26 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 30' ' ' GLY . 5.3 tp -66.96 151.43 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.07 169.03 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -92.92 -61.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -62.65 95.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.21 138.9 54.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -70.75 125.98 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -173.78 110.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 130.42 10.32 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.14 163.41 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -93.42 153.05 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 110.046 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.16 -148.33 33.15 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -152.24 89.07 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -173.21 69.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -93.4 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.37 -65.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -40.16 -59.49 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 41' ' ' TYR . 2.6 tt -40.75 -57.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.26 -49.96 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 t -48.33 -61.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -41.56 -51.72 3.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.712 HD11 HD23 ' A' ' 33' ' ' LEU . 89.7 mt -56.46 -68.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -43.93 -48.26 8.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -46.27 -50.96 15.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG23 ' HB3' ' A' ' 43' ' ' PRO . 93.9 t -69.3 -55.39 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.28 -53.88 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -45.37 -34.64 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 HD11 ' A' ' 47' ' ' ILE . 40.7 mt -87.36 -36.31 17.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' VAL . 77.4 mt -125.68 74.54 70.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.69 8.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -42.37 62.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 46.6 mt -76.09 165.8 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.94 141.52 15.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 12.1 mt-10 -46.3 -50.37 16.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 0.741 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.538 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.69 -44.64 2.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 37.5 t80 -79.0 -31.6 44.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.789 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 66.2 mt -69.74 -36.05 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.712 HD23 HD11 ' A' ' 17' ' ' ILE . 1.6 tm? -69.7 -52.06 28.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.17 -55.27 15.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' LEU . 16.7 m -50.38 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 32' ' ' ILE . 6.9 mt -40.24 -58.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 20.8 mt-10 -45.53 -45.42 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -72.9 -32.44 65.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.585 ' CD2' HG22 ' A' ' 46' ' ' VAL . 51.0 m-85 -94.63 45.97 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 39.05 44.62 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 66.1 m-85 45.8 68.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.3 t0 -132.09 125.59 20.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HB3' HG23 ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.98 -26.04 11.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -54.27 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -49.39 -51.22 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 42' ' ' ASP . 65.9 t -53.42 -57.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 23' ' ' LEU . 96.7 mt -57.7 -65.05 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.33 -48.65 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 m-80 -58.25 -70.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.944 HG12 HD11 ' A' ' 55' ' ' LEU . 19.1 mt -41.25 -41.73 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.16 -49.57 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -79.18 2.98 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.6 mp0 53.3 28.52 7.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -94.04 20.48 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.944 HD11 HG12 ' A' ' 50' ' ' ILE . 24.0 mt -54.08 123.42 12.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.09 156.22 0.48 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -11.84 21.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.2 m -91.81 -29.62 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 mt -90.83 -43.04 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.2 t -57.66 -29.43 64.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -79.35 -32.82 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 62' ' ' LEU . 14.0 mt -55.27 159.39 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -63.0 112.47 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 8.8 mtm180 -51.9 -27.29 12.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -113.43 44.44 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.538 HD23 ' C ' ' A' ' 30' ' ' GLY . 5.0 tp -71.24 138.59 49.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -95.58 168.97 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -87.94 -75.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -44.89 156.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.16 170.34 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -95.79 161.49 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.05 160.34 21.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.06 146.03 0.13 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.428 1.08 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.2 p -162.37 114.26 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.722 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 m -148.22 -64.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.91 146.27 6.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.568 ' HG2' HD12 ' A' ' 16' ' ' LEU . 2.3 mpp? -51.59 121.23 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.21 -64.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 108.292 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -125.8 -73.46 0.21 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -74.07 -60.38 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -39.9 -57.52 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD11 ' OH ' ' A' ' 41' ' ' TYR . 5.2 tt -50.08 -57.55 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -49.6 -39.35 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -58.83 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.568 HD12 ' HG2' ' A' ' 8' ' ' MET . 71.9 mt -46.81 -50.91 17.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 83.9 mt -52.3 -67.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -46.53 -52.5 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -41.2 -44.44 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' A' ' 43' ' ' PRO . 45.1 t -72.28 -55.37 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HE2' ' CD1' ' A' ' 32' ' ' ILE . 1.9 ttmm -47.29 -49.01 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -46.05 -26.08 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 21' ' ' LYS . 37.6 mt -100.75 -30.95 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.1 mt -128.22 72.95 79.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.78 21.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.22 -47.71 67.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -72.24 167.45 20.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.94 145.32 16.63 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 32' ' ' ILE . 13.8 mt-10 -46.46 -52.97 12.06 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 0.73 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.6 -45.77 2.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.616 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 67.5 t80 -77.8 -31.51 51.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 79.5 mt -69.43 -37.26 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -67.83 -52.29 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.83 -55.37 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.731 ' HB3' HG22 ' A' ' 46' ' ' VAL . 20.1 m -52.56 -64.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 17' ' ' ILE . 6.9 mt -40.5 -63.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.547 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -41.9 -59.43 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.809 ' CG ' HD11 ' A' ' 59' ' ' LEU . 49.8 t80 -51.79 -46.88 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 59.5 m-85 -87.43 43.57 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 5.7 m170 39.94 59.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 56.6 m-85 37.78 55.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -113.23 116.5 46.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HB3' HG23 ' A' ' 20' ' ' VAL . 18.1 Cg_endo -75.05 -45.02 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.04 -46.88 82.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -59.48 -59.05 6.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 35' ' ' CYS . 11.3 t -47.29 -58.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 51' ' ' LEU . 88.1 mt -54.78 -62.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -40.28 -57.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 45.8 m-80 -50.21 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.912 HG12 HD11 ' A' ' 55' ' ' LEU . 21.9 mt -43.79 -47.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 47' ' ' ILE . 7.7 mt -59.11 -46.9 87.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.12 21.66 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mt-10 39.45 33.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -100.0 39.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.912 HD11 HG12 ' A' ' 50' ' ' ILE . 12.6 mt -78.93 127.47 32.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.04 158.61 0.54 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 18.3 Cg_endo -74.98 -22.02 15.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -81.63 -38.49 25.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' A' ' 38' ' ' TYR . 12.2 mt -82.31 -46.05 14.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.0 t -56.12 -23.88 37.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 7.7 mm100 -74.67 -38.79 62.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.9 145.26 25.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -50.27 120.28 4.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -51.74 -36.84 48.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -107.48 50.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.4 tp -76.74 139.08 40.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -97.04 169.09 10.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' NH1' HD13 ' A' ' 17' ' ' ILE . 8.8 mmm-85 -92.96 -56.27 3.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 63.76 79.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.3 ttt -140.81 93.43 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.53 -58.41 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -71.64 108.05 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.0 77.91 0.29 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.75 102.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -66.24 90.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.003 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 60.5 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ptm -148.16 136.25 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 0.802 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.64 63.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.98 -92.12 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 t -75.52 -61.17 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -44.23 -61.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tt -43.87 -55.16 4.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -56.7 -46.58 81.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -53.57 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -46.08 -44.42 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.656 HD11 HD23 ' A' ' 33' ' ' LEU . 46.4 mt -65.55 -64.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 p -41.58 -50.87 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -47.63 -53.01 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' LEU . 82.9 t -67.63 -55.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.52 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.7 -49.02 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.63 -32.43 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' VAL . 69.2 mt -91.03 -32.92 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 83.0 mt -129.96 70.64 82.16 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -21.67 15.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -50.57 73.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 74.3 mt -64.87 153.76 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.36 134.01 12.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 10.3 mt-10 -43.17 -47.93 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.688 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.25 -45.86 3.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 62.5 t80 -77.05 -30.55 55.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 73.0 mt -70.51 -37.48 70.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.656 HD23 HD11 ' A' ' 17' ' ' ILE . 1.4 tm? -68.11 -53.86 22.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.94 -57.65 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.635 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.8 m -46.68 -63.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.7 mt -41.35 -59.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.526 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -43.18 -59.01 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CG ' HD11 ' A' ' 59' ' ' LEU . 43.2 t80 -52.79 -45.21 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.643 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 66.4 m-85 -87.58 40.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' TYR . 11.7 m-70 40.02 58.41 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 59.4 m-85 39.73 58.7 2.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 46' ' ' VAL . 66.7 m-20 -115.92 120.62 35.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.767 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.17 -49.44 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.433 ' NE2' ' OD2' ' A' ' 42' ' ' ASP . 52.2 mt-30 -55.71 -60.14 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 42' ' ' ASP . 99.4 t -42.23 -66.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.485 HG22 HD12 ' A' ' 51' ' ' LEU . 82.1 mt -52.99 -51.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -46.4 -55.18 7.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.643 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 21.7 m-80 -54.55 -68.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.798 HG12 HD11 ' A' ' 55' ' ' LEU . 19.6 mt -40.88 -49.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 47' ' ' ILE . 6.0 mt -55.72 -48.22 75.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.1 mm-40 -89.82 20.91 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER 38.75 37.1 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -103.24 37.35 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.798 HD11 HG12 ' A' ' 50' ' ' ILE . 11.4 mt -75.36 131.71 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.51 156.4 0.84 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -9.47 20.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -92.73 -27.02 17.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 35' ' ' CYS . 17.4 mt -94.41 -47.13 6.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -53.66 -20.16 4.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 5.0 pt20 -90.65 -34.47 15.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 15.2 mt -50.06 162.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 120.15 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.9 mtt180 -58.61 -28.95 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -110.67 43.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.688 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.8 tp -71.38 145.82 49.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.52 168.99 9.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.476 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -94.88 119.51 33.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 58.2 96.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 ttt -172.75 165.99 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -171.19 86.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.46 149.85 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.74 61.35 2.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.18 90.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -135.27 -58.21 0.79 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.2 -106.8 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp 44.05 85.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 0.778 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.9 p -179.2 152.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 108.329 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.05 -90.84 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.5 t -75.23 -64.37 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.01 -54.56 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.494 HD21 HD23 ' A' ' 33' ' ' LEU . 5.4 tt -46.14 -49.41 16.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -58.66 -41.77 86.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -61.82 -56.14 22.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 41' ' ' TYR . 88.9 mt -40.59 -52.32 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 77.3 mt -58.37 -69.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -39.43 -46.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -52.11 -56.17 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.57 -53.14 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -47.01 -51.68 16.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.5 -26.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 47' ' ' ILE . 57.5 mt -98.37 -34.98 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -129.52 70.48 81.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.96 -34.8 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -53.57 4.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 64' ' ' ARG . 39.4 mt -63.13 170.09 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.34 147.26 18.32 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.1 mt-10 -52.02 -50.92 60.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.753 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.779 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.85 -44.59 1.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.8 t80 -79.09 -33.51 44.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 29' ' ' GLU . 70.3 mt -68.07 -36.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -69.27 -52.67 25.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.36 -56.29 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.539 ' HA ' HD13 ' A' ' 59' ' ' LEU . 14.0 m -49.13 -64.25 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 46' ' ' VAL . 11.0 mt -40.46 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 41' ' ' TYR . 1.8 mt-10 -41.69 -58.11 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -53.55 -47.05 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 65.8 m-85 -86.46 45.28 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' TYR . 60.2 m-70 39.91 57.54 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.612 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.543 ' HB3' HD13 ' A' ' 16' ' ' LEU . 45.5 m-85 38.18 48.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.483 ' O ' HG23 ' A' ' 46' ' ' VAL . 66.9 m-20 -104.35 115.24 63.3 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.58 9.9 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -43.41 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 24.1 mt-30 -65.63 -56.9 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 36' ' ' LEU . 34.9 t -40.53 -49.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.626 HG22 HD12 ' A' ' 51' ' ' LEU . 91.9 mt -68.07 -59.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.03 -49.31 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 12.9 m120 -51.7 -66.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.892 HG12 HD11 ' A' ' 55' ' ' LEU . 21.4 mt -49.97 -49.39 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.626 HD12 HG22 ' A' ' 47' ' ' ILE . 8.6 mt -53.49 -49.18 68.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -87.67 14.36 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER 45.61 29.34 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.352 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -92.39 23.32 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.892 HD11 HG12 ' A' ' 50' ' ' ILE . 16.3 mt -56.3 126.03 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.49 155.89 2.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.91 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 m -95.16 -29.82 14.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 35' ' ' CYS . 9.5 mt -93.42 -46.28 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -54.57 -21.38 10.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -90.9 -25.03 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.8 168.27 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -70.25 104.7 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 10.7 mtm180 -44.35 -31.97 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -110.71 45.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.3 tp -71.19 140.58 50.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -100.5 168.9 9.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 121.66 41.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 75.72 128.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.74 170.55 12.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 71.78 -66.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 t -175.59 -57.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.31 122.64 0.88 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -167.79 117.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p -169.52 104.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.2 64.51 1.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.561 1.163 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 87.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 140.0 4.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.12 -126.69 7.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.551 1.157 . . . . 0.0 110.977 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 m -49.96 -37.54 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 0.795 . . . . 0.0 109.347 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.82 -53.24 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 13' ' ' LEU . 6.8 tt -52.71 -48.46 66.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.94 -44.66 95.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.7 -53.28 32.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -48.1 -50.35 28.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.444 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 83.9 mt -55.69 -70.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.0 t -42.72 -51.65 5.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -42.95 -49.17 5.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 86.7 t -72.09 -53.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' LEU . 5.7 tttt -45.45 -53.23 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -43.17 -33.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 57.7 mt -92.43 -34.49 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' LYS . 98.3 mt -128.39 72.47 80.24 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.0 Cg_endo -75.08 -29.6 7.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -49.92 -46.61 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' A' ' 64' ' ' ARG . 44.3 mt -70.06 163.1 26.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.15 145.07 17.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 32' ' ' ILE . 27.3 mt-10 -48.67 -52.02 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -40.39 -43.53 2.85 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 59.2 t80 -80.23 -30.29 38.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 29' ' ' GLU . 38.1 mt -71.43 -35.4 56.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.507 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -70.26 -52.48 22.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.54 -54.22 15.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.6 ' HB3' HG22 ' A' ' 46' ' ' VAL . 6.2 m -51.9 -62.31 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.8 mt -41.98 -63.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.7 mt-10 -41.78 -60.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.839 ' CG ' HD11 ' A' ' 59' ' ' LEU . 41.0 t80 -51.64 -45.33 63.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 48.0 m-85 -88.1 43.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' TYR . 59.2 m-70 40.01 57.56 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.9 m-85 39.15 57.15 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -115.7 117.63 39.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.72 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -46.08 89.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -55.85 -61.03 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 35' ' ' CYS . 37.9 t -46.57 -66.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.7 mt -44.08 -59.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -46.19 -56.77 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 13.5 m-80 -50.67 -65.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.888 HG12 HD11 ' A' ' 55' ' ' LEU . 21.4 mt -42.39 -47.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.19 -43.38 95.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.7 mm-40 -87.72 14.16 9.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 21.4 mt-10 42.62 33.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -101.16 31.84 3.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.888 HD11 HG12 ' A' ' 50' ' ' ILE . 13.4 mt -67.16 126.22 28.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.57 160.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.18 12.2 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 111.05 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -82.09 -30.87 31.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 38' ' ' TYR . 21.7 mt -85.56 -47.41 9.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.4 t -55.19 -27.99 49.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -70.18 -40.6 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.47 132.28 39.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -42.21 123.65 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.525 ' HD2' HD21 ' A' ' 27' ' ' LEU . 7.0 mtm-85 -53.76 -32.38 52.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -111.15 52.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.5 tp -80.07 139.53 36.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -101.96 169.03 9.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -103.96 123.44 47.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.52 123.28 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.6 tpt -139.89 125.99 19.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.14 -58.7 3.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -129.0 149.05 50.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.5 76.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.556 1.16 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -114.43 84.97 2.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -159.15 86.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.36 59.34 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.61 98.02 0.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.1 p -174.7 60.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.13 -136.44 3.81 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 m -43.02 -32.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.41 -54.76 41.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 13' ' ' LEU . 7.1 tt -48.7 -53.88 17.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.35 -46.42 89.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -51.53 -58.94 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.8 mt -41.59 -53.85 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 71.9 mt -48.7 -71.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -47.81 23.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -47.86 -55.57 9.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.91 -54.34 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 12.0 ttpt -45.49 -51.07 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -43.43 -33.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.9 mt -92.16 -34.36 14.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -128.92 72.15 81.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.03 -33.77 4.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.15 -51.51 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD13 ' CE2' ' A' ' 31' ' ' PHE . 67.2 mt -65.09 161.72 18.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.42 145.71 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 32' ' ' ILE . 16.1 mt-10 -51.04 -51.51 52.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.613 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.83 -44.08 2.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.591 ' CE2' HD13 ' A' ' 27' ' ' LEU . 41.1 t80 -79.48 -31.43 42.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 29' ' ' GLU . 42.7 mt -69.88 -34.6 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.539 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.6 tm? -71.62 -52.63 17.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -53.8 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 m -49.21 -65.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' HG21 ' A' ' 46' ' ' VAL . 7.2 mt -40.45 -61.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.5 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.5 mt-10 -42.41 -60.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.695 ' CG ' HD11 ' A' ' 59' ' ' LEU . 56.3 t80 -51.81 -44.85 63.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.543 ' CZ ' ' CG ' ' A' ' 49' ' ' ASN . 65.1 m-85 -88.47 43.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 86.7 m-70 40.05 58.71 2.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.7 m-85 37.7 54.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.913 ' O ' HG23 ' A' ' 46' ' ' VAL . 71.4 m-20 -110.55 124.98 31.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.72 -51.48 28.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -51.28 -61.97 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 42' ' ' ASP . 88.2 t -40.77 -68.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.538 HG22 HD12 ' A' ' 51' ' ' LEU . 73.0 mt -47.26 -59.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -44.12 -58.28 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.543 ' CG ' ' CZ ' ' A' ' 39' ' ' TYR . 10.0 m120 -45.06 -65.21 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HD11 ' A' ' 55' ' ' LEU . 24.4 mt -49.19 -46.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 47' ' ' ILE . 11.3 mt -55.25 -49.62 71.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 19.02 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.58 34.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -97.69 36.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD11 HG12 ' A' ' 50' ' ' ILE . 12.1 mt -76.42 133.73 39.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -51.27 161.0 0.82 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -75.05 -11.42 21.39 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.549 1.815 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.49 -22.74 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.695 HD11 ' CG ' ' A' ' 38' ' ' TYR . 13.2 mt -95.2 -48.11 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -21.51 38.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.39 -31.3 18.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.33 162.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.88 112.82 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HD2' HD21 ' A' ' 27' ' ' LEU . 9.1 mtm180 -49.59 -35.65 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -110.17 54.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.613 HD23 ' HA3' ' A' ' 30' ' ' GLY . 2.2 tp -80.95 131.54 35.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -94.91 169.07 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.84 124.93 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.83 161.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.5 ptp -150.93 175.01 12.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -166.11 125.15 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -177.63 156.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.3 -90.49 0.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 p -92.63 92.53 8.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -147.64 104.99 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.22 130.68 2.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ttt 57.56 160.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.025 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.03 78.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.29 -95.12 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -77.73 -65.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.06 -54.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD11 ' CE1' ' A' ' 41' ' ' TYR . 5.3 tt -44.75 -57.07 3.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -51.43 -46.63 63.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -53.16 57.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.551 HD22 ' HD3' ' A' ' 43' ' ' PRO . 38.6 mt -47.54 -57.55 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 66.5 mt -45.05 -67.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.4 m -50.59 -54.21 24.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -38.99 -53.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.9 t -65.47 -56.28 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.5 tttp -44.11 -51.97 7.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -41.39 -35.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.4 -31.72 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 50' ' ' ILE . 73.2 mt -127.42 72.56 77.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -39.91 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -42.7 -55.55 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.648 HD13 ' HE2' ' A' ' 31' ' ' PHE . 33.0 mt -60.91 159.72 10.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.8 146.23 18.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 32.2 mt-10 -50.45 -51.66 44.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.629 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.32 -42.04 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.648 ' HE2' HD13 ' A' ' 27' ' ' LEU . 42.2 t80 -81.4 -33.4 32.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 0.808 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' GLU . 77.7 mt -68.99 -34.06 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.6 tm? -71.56 -52.38 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.0 -55.78 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' TYR . 5.7 m -48.78 -66.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' HG ' HG21 ' A' ' 46' ' ' VAL . 11.4 mt -40.0 -55.81 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -49.7 -45.15 48.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 59' ' ' LEU . 10.1 t80 -76.05 -19.46 58.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.554 ' CZ ' ' OD1' ' A' ' 49' ' ' ASN . 38.6 m-85 -109.0 47.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 27.3 m170 38.06 51.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.54 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 50.5 m-85 36.95 61.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -127.8 127.88 23.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.551 ' HD3' HD22 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.99 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -46.55 -47.37 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 70.3 mt-30 -57.23 -60.95 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.6 t -40.47 -62.4 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.697 HG22 HD12 ' A' ' 51' ' ' LEU . 97.6 mt -53.4 -58.39 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -44.41 -49.17 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 39' ' ' TYR . 13.8 m120 -54.87 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.522 HG12 HD11 ' A' ' 55' ' ' LEU . 23.9 mt -48.95 -56.86 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 HG22 ' A' ' 47' ' ' ILE . 6.4 mt -50.19 -46.75 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ARG . 4.3 mm-40 -88.9 18.36 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.2 mt-10 38.88 30.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.4 mtp180 -89.5 17.42 6.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG12 ' A' ' 50' ' ' ILE . 11.1 mt -51.51 136.71 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -63.92 163.94 19.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.2 Cg_endo -74.95 -12.82 21.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.9 -33.56 12.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 38' ' ' TYR . 16.2 mt -83.5 -39.75 20.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t -59.22 -34.85 72.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -79.24 -32.33 43.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 59' ' ' LEU . 10.8 mt -50.95 154.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.99 105.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -44.96 -34.46 2.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.03 56.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.629 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.5 tp -83.0 141.28 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.87 168.97 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HA ' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.53 -54.39 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.92 97.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -149.05 173.36 13.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -133.18 145.41 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -154.65 120.66 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.64 68.63 0.98 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.557 1.161 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 m -73.83 103.18 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 0.737 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 p -80.36 -58.33 3.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.7 164.41 27.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 ttt -59.8 162.27 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 t 68.67 88.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.05 -96.8 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.1 t -77.45 -64.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.94 -51.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD21 HD23 ' A' ' 33' ' ' LEU . 1.6 tt -50.27 -61.08 2.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -41.73 -43.57 2.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -48.92 -56.65 8.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -52.17 -60.69 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.528 HG21 ' OE1' ' A' ' 29' ' ' GLU . 89.5 mt -44.24 -69.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.5 p -44.9 -56.1 4.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -43.26 -56.12 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LEU . 72.5 t -65.28 -53.51 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -45.18 -56.19 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -44.19 -30.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' VAL . 45.0 mt -89.31 -38.02 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 21' ' ' LYS . 96.8 mt -128.42 72.09 80.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -25.29 12.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -54.96 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.06 163.47 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.66 141.16 15.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.593 ' HA ' HD12 ' A' ' 32' ' ' ILE . 9.8 mt-10 -49.63 -50.68 42.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.498 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.84 -45.77 2.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.644 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 51.5 t80 -77.87 -30.89 51.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 29' ' ' GLU . 42.5 mt -69.72 -36.69 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.1 tm? -68.55 -53.43 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' HD13 ' A' ' 33' ' ' LEU . . . -47.1 -54.31 10.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.8 m -49.31 -62.72 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.479 ' HG ' HG21 ' A' ' 46' ' ' VAL . 6.8 mt -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.506 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 3.3 mt-10 -43.94 -51.63 7.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.812 ' CG ' HD11 ' A' ' 59' ' ' LEU . 35.3 t80 -63.01 -42.8 99.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CE1' ' OD1' ' A' ' 49' ' ' ASN . 64.9 m-85 -87.29 42.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 39.95 56.41 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.585 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 55.7 m-85 39.39 52.13 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.796 ' O ' HG23 ' A' ' 46' ' ' VAL . 74.8 m-20 -110.87 124.16 33.67 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.15 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.427 1.751 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -48.37 -49.64 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' OD1' ' A' ' 49' ' ' ASN . 46.7 mt-30 -53.02 -61.55 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.3 t -41.02 -65.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -50.69 -55.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.76 -55.69 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' OD1' ' CE1' ' A' ' 39' ' ' TYR . 8.5 m120 -50.75 -65.33 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.951 HG12 HD11 ' A' ' 55' ' ' LEU . 20.0 mt -45.73 -53.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.77 -48.15 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.07 16.39 6.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 40.69 33.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -98.05 32.85 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.951 HD11 HG12 ' A' ' 50' ' ' ILE . 16.3 mt -71.13 121.15 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -43.64 162.08 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.3 Cg_endo -75.03 -34.43 3.8 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -68.54 -26.07 65.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.812 HD11 ' CG ' ' A' ' 38' ' ' TYR . 7.2 mt -95.2 -43.62 8.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -58.16 -16.76 14.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 14.9 mm-40 -83.18 -41.47 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.0 mt -50.77 148.87 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -56.06 120.24 7.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -54.67 -27.3 39.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -115.21 57.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.498 HD23 ' HA3' ' A' ' 30' ' ' GLY . 1.5 tp -86.66 142.54 28.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -98.1 168.98 9.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 1.4 mmp_? -103.47 -58.17 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -49.89 141.81 9.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 57.34 165.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.3 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -63.43 169.25 3.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.19 156.53 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.44 -93.32 2.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -82.89 103.91 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t 67.66 112.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.79 -97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.4 ttp -155.78 91.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 0.73 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.75 64.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 108.292 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' GLU . . . 174.19 -138.79 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 m -42.02 -29.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 10' ' ' GLY . 1.3 mm-40 -58.74 -52.42 65.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.2 tt -52.66 -46.8 67.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.66 -42.04 95.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -55.18 -55.51 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 41' ' ' TYR . 77.6 mt -46.97 -43.35 19.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 93.3 mt -60.57 -58.99 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -55.67 -40.51 72.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -49.26 -51.38 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 43' ' ' PRO . 70.9 t -69.7 -54.81 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 2.3 ttpp -46.28 -50.07 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -43.15 -30.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.4 mp -100.34 -30.28 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' LYS . 88.8 mt -128.6 73.46 80.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.67 11.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -58.0 -53.82 53.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.547 HD21 ' HD2' ' A' ' 64' ' ' ARG . 75.9 mt -59.5 153.99 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.8 138.42 14.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 21.5 mt-10 -43.07 -51.71 5.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.597 ' CA ' HD23 ' A' ' 66' ' ' LEU . . . -38.13 -46.03 1.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' HB3' ' A' ' 66' ' ' LEU . 68.7 t80 -77.71 -34.3 52.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.746 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 76.1 mt -66.75 -36.62 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -69.27 -53.32 20.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.49 -55.22 11.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.732 ' HB3' HG22 ' A' ' 46' ' ' VAL . 12.3 m -49.62 -64.73 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' TYR . 17.3 mt -40.38 -63.43 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.5 mt-10 -41.85 -56.62 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -61.07 -37.91 84.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 43.6 m-85 -91.38 46.33 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' TYR . 10.1 m170 37.69 52.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.61 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.77 66.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.05 122.16 20.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 18.4 Cg_endo -75.05 -22.27 14.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.74 -46.54 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 39' ' ' TYR . 7.5 mt-30 -57.17 -53.79 54.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.732 HG22 ' HB3' ' A' ' 35' ' ' CYS . 55.7 t -49.58 -51.47 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 51' ' ' LEU . 97.1 mt -62.19 -62.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -40.2 -52.88 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.569 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 6.7 m-80 -57.61 -66.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.614 HG13 HD21 ' A' ' 55' ' ' LEU . 40.1 mt -42.7 -46.26 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 47' ' ' ILE . 5.6 mt -65.09 -41.23 95.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mm-40 -89.64 19.17 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER 38.79 30.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.0 mtp180 -94.22 17.6 12.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 HG13 ' A' ' 50' ' ' ILE . 10.6 mt -49.41 129.78 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.67 156.2 1.66 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -11.73 21.51 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.817 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -95.05 -28.32 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 35' ' ' CYS . 15.9 mt -90.17 -47.48 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -52.98 -22.48 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -90.86 -26.45 19.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.51 159.74 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.29 111.4 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HD2' HD21 ' A' ' 27' ' ' LEU . 15.3 mtm-85 -52.76 -27.0 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -114.14 48.37 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.597 HD23 ' CA ' ' A' ' 30' ' ' GLY . 2.2 tp -77.07 140.2 40.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -100.34 168.98 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HA ' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -107.03 121.44 44.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.314 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.95 143.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.05 178.01 4.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -93.19 147.53 22.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 0.777 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -122.89 85.93 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.2 55.93 14.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 54.72 89.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -138.28 141.88 39.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 153.37 5.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.058 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.402 ' CE ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER 54.64 96.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 111.013 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -176.03 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 108.334 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.62 -128.56 3.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.5 m -45.99 -42.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -45.41 -44.64 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HG ' ' CE ' ' A' ' 8' ' ' MET . 6.7 tt -59.75 -55.52 33.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -57.98 -35.2 70.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -60.62 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.7 mt -45.13 -50.67 11.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 85.2 mt -54.87 -67.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -39.46 -52.14 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -46.92 -55.78 7.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' LEU . 73.6 t -66.42 -55.14 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -44.0 -54.66 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.49 -35.38 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.5 mt -84.0 -37.19 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.8 mt -127.61 73.58 78.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -75.06 -23.65 13.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.8 -50.43 72.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 31' ' ' PHE . 48.9 mt -64.66 165.36 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.35 140.8 15.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 6.9 mt-10 -45.51 -52.12 10.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -39.69 -44.29 2.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.448 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 39.3 t80 -79.21 -31.85 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.508 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.4 mt -69.8 -35.52 65.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.1 tm? -70.44 -54.7 11.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.63 -53.33 7.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.497 ' HB3' HG22 ' A' ' 46' ' ' VAL . 1.5 m -50.83 -63.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' TYR . 7.8 mt -41.65 -63.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.573 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 1.1 mt-10 -43.21 -62.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.459 ' CG ' HD11 ' A' ' 59' ' ' LEU . 14.2 t80 -56.86 -27.65 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 27.8 m-85 -102.63 48.33 0.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' TYR . 31.5 m-70 38.01 52.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 38.6 m-85 37.46 53.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.86 129.08 25.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.93 -56.23 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -41.99 -55.28 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 50' ' ' ILE . 76.9 t -57.24 -69.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 51' ' ' LEU . 74.5 mt -40.1 -52.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.38 -59.38 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 18.6 m-80 -48.88 -67.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.823 HG12 HD11 ' A' ' 55' ' ' LEU . 31.4 mt -40.59 -49.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 47' ' ' ILE . 5.3 mt -57.23 -46.84 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.9 mm-40 -89.87 20.38 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 tt0 39.92 31.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -96.32 35.89 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.823 HD11 HG12 ' A' ' 50' ' ' ILE . 12.2 mt -74.39 129.0 36.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.3 154.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.2 17.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.5 m -95.93 -27.23 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 35' ' ' CYS . 13.8 mt -95.33 -46.67 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 t -52.97 -29.51 29.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.7 pt20 -77.98 -40.1 40.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 17.3 mt -46.8 164.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.93 114.05 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 27' ' ' LEU . 11.8 mtt-85 -54.31 -28.94 45.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -113.48 42.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.591 HD23 ' HA3' ' A' ' 30' ' ' GLY . 2.6 tp -67.15 127.91 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -80.69 169.16 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -122.17 -54.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -44.98 141.91 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.0 mmt -124.95 147.2 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 63.58 108.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.77 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -77.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.49 -154.78 16.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -135.43 148.25 49.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -69.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.16 -99.82 0.74 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.61 102.53 9.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.7 p 175.85 167.82 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.85 -104.28 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.98 -63.65 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.783 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -40.46 -55.7 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -45.44 -57.02 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -52.53 -47.63 66.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.257 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -56.68 -57.29 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -40.85 -55.55 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.482 HD13 ' HE ' ' A' ' 68' ' ' ARG . 81.3 mt -56.08 -70.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -39.51 -51.73 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.85 -52.9 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' A' ' 47' ' ' ILE . 75.4 t -66.94 -57.16 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 5.5 ttpt -43.73 -56.28 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -41.23 -34.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 54.8 mt -88.86 -39.07 14.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . 87.9 mt -125.93 74.02 70.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.4 Cg_endo -74.93 -27.38 10.2 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.62 -44.05 72.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.87 154.91 41.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.56 142.84 17.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 32' ' ' ILE . 11.1 mt-10 -47.88 -51.34 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.819 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.04 -47.96 1.97 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -76.01 -33.7 59.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 29' ' ' GLU . 36.4 mt -66.7 -37.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.3 tm? -68.51 -53.09 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.97 -58.48 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.601 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.0 m -45.98 -63.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.262 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.8 mt -41.39 -63.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.32 -60.01 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CG ' HD11 ' A' ' 59' ' ' LEU . 26.3 t80 -46.93 -48.1 21.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 46' ' ' VAL . 65.9 m-85 -90.19 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' TYR . 27.9 m-70 39.91 62.72 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 57.9 m-85 37.37 57.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 12.7 t0 -116.4 118.53 37.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -59.9 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -57.44 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -42.92 -61.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.472 HG22 ' CD2' ' A' ' 39' ' ' TYR . 53.9 t -47.98 -72.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 20' ' ' VAL . 57.6 mt -40.63 -47.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.72 -49.47 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.3 m-80 -58.57 -58.94 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.834 HG12 HD11 ' A' ' 55' ' ' LEU . 88.2 mt -48.47 -34.84 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 51' ' ' LEU . 6.5 mt -77.5 -40.19 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -91.22 20.72 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.148 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 15.4 mt-10 39.0 38.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -102.86 15.87 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.834 HD11 HG12 ' A' ' 50' ' ' ILE . 16.6 mt -51.37 120.13 4.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -44.95 156.19 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -11.66 21.53 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -95.68 -27.25 15.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 35' ' ' CYS . 23.3 mt -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -59.54 -29.46 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -80.65 -34.02 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 59' ' ' LEU . 16.8 mt -50.44 164.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.74 115.27 9.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -56.46 -20.92 22.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -114.06 26.35 10.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.819 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.0 tp -55.87 140.12 43.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -100.83 169.08 9.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -85.68 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.7 152.66 39.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 ttp -171.67 166.55 6.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -119.63 155.87 31.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.33 100.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.082 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.9 -151.37 7.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 m -116.84 150.02 39.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.16 117.8 4.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.4 74.33 0.57 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ttp -80.74 85.92 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.96 87.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.09 -141.1 7.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.1 m -42.95 -36.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 0.747 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.65 -53.62 49.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -48.94 -53.79 18.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -61.79 -44.85 96.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -50.58 -54.48 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.9 mt -49.13 -49.58 41.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.503 HD11 HD23 ' A' ' 33' ' ' LEU . 94.9 mt -53.71 -66.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -47.37 -50.77 21.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -43.8 -55.17 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 23' ' ' LEU . 80.6 t -65.53 -52.46 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' CG ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -45.28 -53.77 7.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.09 -34.63 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' VAL . 58.3 mt -86.1 -35.41 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 21' ' ' LYS . 90.2 mt -130.23 73.27 81.46 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -74.98 -29.68 8.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.57 -50.66 53.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 31' ' ' PHE . 39.0 mt -66.66 165.08 15.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.14 146.15 18.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ILE . 21.2 mt-10 -50.04 -50.65 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.657 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.48 -43.2 2.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.54 ' CE2' HD13 ' A' ' 27' ' ' LEU . 58.1 t80 -80.18 -32.96 38.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.526 ' CD1' ' CG ' ' A' ' 21' ' ' LYS . 78.5 mt -68.98 -35.29 68.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 17' ' ' ILE . 1.2 tm? -70.51 -53.29 16.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.97 7.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.5 m -48.11 -58.98 3.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.0 mt -45.22 -60.83 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.2 mt-10 -44.91 -59.21 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.679 ' CG ' HD11 ' A' ' 59' ' ' LEU . 35.3 t80 -46.59 -50.42 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.515 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 70.5 m-85 -87.4 41.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.085 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 40.08 64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.603 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' LEU . 60.1 m-85 37.74 66.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.805 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.3 t0 -125.29 121.99 25.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -60.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.35 -62.01 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 25.5 mt-30 -40.59 -57.71 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 42' ' ' ASP . 94.9 t -52.3 -72.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.535 HG22 HD12 ' A' ' 51' ' ' LEU . 32.9 mt -40.42 -45.75 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.25 -65.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.515 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 m-80 -42.23 -67.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.867 HG12 HD11 ' A' ' 55' ' ' LEU . 13.9 mt -42.89 -44.43 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.535 HD12 HG22 ' A' ' 47' ' ' ILE . 5.5 mt -62.85 -45.42 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.64 19.57 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.3 mt-10 39.1 35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -105.35 36.57 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.867 HD11 HG12 ' A' ' 50' ' ' ILE . 12.6 mt -71.44 137.85 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.12 158.66 6.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -7.4 19.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -95.25 -30.38 14.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' A' ' 38' ' ' TYR . 13.3 mt -90.73 -47.69 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -53.01 -32.63 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 13.9 pt20 -78.23 -40.61 36.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 62' ' ' LEU . 11.9 mt -44.3 158.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.66 114.78 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -53.24 -33.86 54.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -108.8 50.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.5 tp -78.0 141.09 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.41 169.09 9.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -99.9 -55.63 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.33 139.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.9 mtt -134.53 167.39 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.15 129.26 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m 63.47 -89.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.76 -163.76 13.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.1 p -109.27 76.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -131.74 133.99 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.51 58.0 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.3 ttp -84.11 88.44 7.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.9 t -174.42 81.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.33 -86.31 0.12 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 t -81.1 -63.62 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -40.06 -54.01 2.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.5 tt -46.58 -57.26 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -49.95 -45.96 51.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -57.24 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.8 mt -47.93 -53.76 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.411 HD11 HD23 ' A' ' 33' ' ' LEU . 85.2 mt -50.92 -63.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.5 m -49.63 -53.31 24.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 2.5 mt-30 -44.89 -51.15 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.6 t -67.41 -53.38 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' HG3' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -47.01 -49.9 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -46.36 -28.19 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 19' ' ' GLN . 6.8 mp -99.9 -28.21 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 21' ' ' LYS . 95.4 mt -131.29 70.87 82.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.13 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -45.64 -51.23 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.03 167.95 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.24 141.48 15.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 32' ' ' ILE . 9.3 mt-10 -47.07 -52.35 15.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' HA3' HD23 ' A' ' 66' ' ' LEU . . . -40.65 -41.74 2.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' HZ ' HD13 ' A' ' 55' ' ' LEU . 69.3 t80 -81.74 -30.69 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 21' ' ' LYS . 85.2 mt -71.82 -34.38 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.6 tm? -70.97 -52.48 19.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.1 -54.65 12.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HA ' HD13 ' A' ' 59' ' ' LEU . 3.2 m -52.11 -60.67 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.8 mt -43.18 -61.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -43.21 -56.95 3.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.657 ' CG ' HD11 ' A' ' 59' ' ' LEU . 27.4 t80 -51.64 -47.02 63.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.519 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 71.2 m-85 -87.56 40.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m170 40.35 57.67 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CE1' HD11 ' A' ' 13' ' ' LEU . 55.8 m-85 42.9 57.32 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.881 ' O ' HG23 ' A' ' 46' ' ' VAL . 14.5 t0 -113.99 121.94 35.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -60.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -56.57 5.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -47.76 -61.99 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 42' ' ' ASP . 69.6 t -41.42 -68.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 51' ' ' LEU . 79.3 mt -48.34 -53.05 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.34 -60.86 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.519 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 40.4 m-80 -47.9 -68.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.899 HG12 HD11 ' A' ' 55' ' ' LEU . 20.9 mt -41.53 -46.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.497 HD12 HG22 ' A' ' 47' ' ' ILE . 4.5 mt -57.08 -48.8 77.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.8 mm-40 -89.73 19.51 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.229 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' ASN . 0.4 OUTLIER 38.84 38.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -100.99 23.26 10.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.899 HD11 HG12 ' A' ' 50' ' ' ILE . 13.9 mt -59.34 126.37 27.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 57' ' ' PRO . . . -48.4 169.09 0.15 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.4 Cg_endo -74.97 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -62.52 -41.5 98.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.657 HD11 ' CG ' ' A' ' 38' ' ' TYR . 21.4 mt -74.84 -47.44 30.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.2 t -57.23 -18.07 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -82.43 -41.32 20.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.27 144.82 11.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -55.71 130.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -32.81 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -110.06 51.22 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.405 HD23 ' HA3' ' A' ' 30' ' ' GLY . 3.1 tp -76.3 129.99 37.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -82.76 169.03 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -117.76 -57.82 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -45.81 110.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 123.24 13.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -90.77 132.99 35.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -143.6 108.66 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.86 128.8 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -98.77 137.8 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -63.84 115.16 4.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.62 -134.54 2.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.421 ' HB2' ' CB ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.3 140.1 10.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 111.002 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.45 -46.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.48 -85.59 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.21 -55.51 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -41.62 -62.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.347 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD11 ' CE1' ' A' ' 41' ' ' TYR . 5.1 tt -40.63 -59.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -42.32 -46.52 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -45.34 -62.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.564 HD22 ' HG3' ' A' ' 43' ' ' PRO . 49.3 mt -42.92 -58.22 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 29' ' ' GLU . 95.9 mt -47.54 -66.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 m -47.24 -51.01 20.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -46.83 -47.04 21.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -74.06 -54.15 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CD ' ' HG3' ' A' ' 29' ' ' GLU . 4.9 tttt -46.16 -49.75 16.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -44.89 -30.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.418 HD12 HD13 ' A' ' 47' ' ' ILE . 54.0 mt -92.65 -34.11 14.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.1 mt -129.7 70.59 82.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.8 -47.53 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.502 HD21 ' HD2' ' A' ' 64' ' ' ARG . 59.4 mt -69.64 162.73 27.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.22 140.04 14.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HG3' ' CD ' ' A' ' 21' ' ' LYS . 20.8 mt-10 -44.16 -50.14 8.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.718 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.46 -44.58 2.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 27' ' ' LEU . 60.4 t80 -79.06 -32.32 44.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 0.752 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' GLU . 69.1 mt -69.13 -35.87 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -69.77 -52.85 21.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.47 -56.34 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.52 -56.61 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' TYR . 8.2 mt -46.71 -58.3 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -47.1 -50.05 20.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.933 ' CG ' HD11 ' A' ' 59' ' ' LEU . 28.3 t80 -60.75 -42.91 98.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.649 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 64.1 m-85 -91.56 41.26 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' TYR . 13.9 m-70 39.69 62.6 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.555 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.503 ' CE1' HD11 ' A' ' 13' ' ' LEU . 59.6 m-85 37.71 55.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.891 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t0 -112.6 122.12 37.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' HG3' HD22 ' A' ' 16' ' ' LEU . 18.1 Cg_endo -75.05 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -59.23 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -43.45 -60.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 42' ' ' ASP . 74.9 t -42.23 -70.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.418 HD13 HD12 ' A' ' 23' ' ' LEU . 60.7 mt -45.57 -63.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -41.01 -59.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.649 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 11.6 m-80 -46.54 -63.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.986 HG12 HD11 ' A' ' 55' ' ' LEU . 20.0 mt -40.32 -55.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.7 -43.29 72.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' CB ' ' HG3' ' A' ' 54' ' ' ARG . 3.5 mm-40 -88.07 16.39 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' ASN . 22.5 mt-10 38.62 30.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 52' ' ' GLU . 29.5 mtt-85 -82.89 0.12 45.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.986 HD11 HG12 ' A' ' 50' ' ' ILE . 96.6 mt -48.2 123.16 6.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 60' ' ' SER . . . -51.9 157.71 1.96 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.7 m -97.0 -26.19 15.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.933 HD11 ' CG ' ' A' ' 38' ' ' TYR . 8.9 mt -95.95 -48.02 5.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 0.6 OUTLIER -58.92 -25.49 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' OE1' ' A' ' 61' ' ' GLN . 1.0 OUTLIER -78.59 -28.29 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 59' ' ' LEU . 43.5 mt -62.11 163.2 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.03 119.9 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' HD2' HD21 ' A' ' 27' ' ' LEU . 9.9 mtm-85 -59.96 -25.97 65.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.51 31.88 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.718 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.6 tp -58.83 145.42 40.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -108.04 169.02 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' HE ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -98.95 122.48 42.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.65 132.58 36.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -112.19 105.88 14.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -100.25 102.8 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.25 89.86 7.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.15 -150.92 23.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.143 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -141.52 139.64 33.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 109.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -141.22 -61.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.967 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.0 91.45 0.88 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt 42.36 77.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.6 t -174.35 68.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.64 -88.32 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 t -77.83 -63.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -39.8 -55.18 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD21 HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -47.78 -62.35 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -41.97 -44.4 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 t -45.19 -58.17 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 43' ' ' PRO . 37.8 mt -51.83 -55.51 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.799 HG21 ' OE1' ' A' ' 29' ' ' GLU . 81.2 mt -50.71 -68.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 p -43.68 -52.81 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -45.17 -53.02 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' LEU . 54.1 t -69.08 -53.61 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -44.89 -54.95 5.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -43.17 -32.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 47.4 mt -90.22 -37.14 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' LYS . 97.4 mt -129.27 72.32 81.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.1 Cg_endo -75.06 -27.23 10.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.0 -51.87 54.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.227 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD13 ' CE2' ' A' ' 31' ' ' PHE . 52.4 mt -65.39 158.81 25.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -89.48 137.9 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.799 ' OE1' HG21 ' A' ' 17' ' ' ILE . 15.2 mt-10 -45.85 -50.73 13.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.477 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -39.46 -44.71 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' CE2' HD13 ' A' ' 27' ' ' LEU . 17.7 t80 -78.85 -32.13 45.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 29' ' ' GLU . 41.7 mt -68.97 -35.41 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 13' ' ' LEU . 1.4 tm? -70.39 -52.62 21.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.14 -55.95 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' HA ' HD13 ' A' ' 59' ' ' LEU . 2.4 m -49.57 -52.84 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' TYR . 9.1 mt -50.17 -60.66 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 41' ' ' TYR . 2.4 mt-10 -43.18 -59.65 1.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.699 ' CG ' HD11 ' A' ' 59' ' ' LEU . 22.7 t80 -47.52 -49.71 25.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CZ ' ' ND2' ' A' ' 49' ' ' ASN . 56.9 m-85 -86.83 43.81 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 40.69 59.43 2.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 37' ' ' GLU . 54.1 m-85 39.82 55.53 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.833 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 t0 -111.29 120.98 41.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HG3' HD22 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.04 -59.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.37 -56.84 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -46.48 -61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 42' ' ' ASP . 95.8 t -44.75 -68.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 20' ' ' VAL . 56.6 mt -45.66 -53.04 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.95 -58.74 4.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.532 ' ND2' ' CZ ' ' A' ' 39' ' ' TYR . 42.6 m-80 -46.47 -66.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.641 HG12 HD11 ' A' ' 55' ' ' LEU . 21.7 mt -40.94 -52.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 mt -52.23 -47.44 65.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.9 mm-40 -89.08 17.88 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.6 mm-40 38.88 36.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -101.24 33.79 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.641 HD11 HG12 ' A' ' 50' ' ' ILE . 11.3 mt -73.42 131.08 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.01 158.14 0.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -8.34 19.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.6 m -94.26 -28.11 15.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 38' ' ' TYR . 14.3 mt -92.83 -42.57 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t -59.27 -29.56 67.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -78.82 -37.73 39.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 62' ' ' LEU . 13.3 mt -46.11 159.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.27 109.44 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.63 -32.12 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -112.98 55.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 30' ' ' GLY . 2.7 tp -81.73 137.06 35.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -95.71 170.44 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.449 ' HA ' ' NH1' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -105.86 -54.4 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 55.79 106.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 59.2 tpp -163.41 134.58 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.69 160.72 32.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.806 . . . . 0.0 110.061 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 40.23 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.34 58.8 0.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.54 86.56 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.64 158.71 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.23 56.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -61.22 138.83 58.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 111.04 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER 83.85 63.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.46 -93.69 0.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -77.05 -64.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -39.71 -57.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' A' ' 41' ' ' TYR . 4.3 tt -41.57 -54.7 3.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -47.57 -51.27 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.5 t -54.15 -52.32 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.2 mt -43.52 -54.32 4.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.57 HD13 ' NH1' ' A' ' 68' ' ' ARG . 84.9 mt -56.17 -68.37 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.2 m -41.16 -51.7 3.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -44.27 -56.02 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' LEU . 69.9 t -63.84 -53.33 45.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -46.29 -52.93 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -46.03 -29.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' VAL . 50.5 mt -93.54 -35.33 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' VAL . 97.8 mt -131.16 72.45 81.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.01 -27.57 9.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -45.11 63.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.624 HD13 ' CE1' ' A' ' 31' ' ' PHE . 47.4 mt -69.55 160.55 31.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -95.34 136.54 12.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 17' ' ' ILE . 18.7 mt-10 -39.96 -51.7 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.79 ' C ' HD23 ' A' ' 66' ' ' LEU . . . -38.31 -47.33 2.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.565 1.166 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' ' 27' ' ' LEU . 13.3 t80 -76.79 -33.26 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' GLU . 60.1 mt -67.26 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -68.21 -52.41 34.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.42 -54.76 19.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.562 ' HA ' HD13 ' A' ' 59' ' ' LEU . 45.2 m -49.74 -61.42 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' TYR . 12.5 mt -43.6 -60.06 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.5 -55.23 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -53.54 -49.28 67.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' CE1' ' ND2' ' A' ' 49' ' ' ASN . 73.0 m-85 -86.65 42.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 39.61 63.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.157 . . . . 0.0 109.563 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 13' ' ' LEU . 58.8 m-85 37.77 57.79 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.852 ' O ' HG23 ' A' ' 46' ' ' VAL . 11.4 t0 -115.91 122.86 31.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -60.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.18 -60.96 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -42.24 -58.59 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 42' ' ' ASP . 66.5 t -43.04 -72.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 51' ' ' LEU . 47.0 mt -47.96 -47.56 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -46.3 -54.05 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.481 ' ND2' ' CE1' ' A' ' 39' ' ' TYR . 14.3 m-80 -57.83 -60.37 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.573 ' CG1' HD21 ' A' ' 55' ' ' LEU . 21.3 mt -46.22 -49.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.501 HD12 HG22 ' A' ' 47' ' ' ILE . 5.2 mt -60.38 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.55 19.15 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' ASN . 2.8 tt0 40.26 33.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 14.3 mtp-105 -94.55 13.2 24.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.573 HD21 ' CG1' ' A' ' 50' ' ' ILE . 10.9 mt -44.92 124.57 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.595 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . . . -51.26 161.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 56' ' ' ALA . 18.4 Cg_endo -75.0 -13.28 21.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 m -96.05 -30.77 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.595 ' HG ' ' HB3' ' A' ' 56' ' ' ALA . 20.2 mt -85.1 -41.39 15.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 t -59.45 -41.02 88.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -69.54 -38.43 77.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 62' ' ' LEU . 11.4 mt -47.28 163.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 109.92 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.5 mtm180 -49.14 -27.71 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -112.84 39.71 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.79 HD23 ' C ' ' A' ' 30' ' ' GLY . 1.2 tp -69.07 140.09 54.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 69' ' ' GLU . 16.5 t70 -96.12 169.02 10.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' NH1' HD13 ' A' ' 17' ' ' ILE . 15.6 mmm-85 -88.34 -58.39 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER 47.19 83.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.44 136.79 13.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.979 . . . . . . . . 0 0 . 1 stop_ save_