data_1l6u_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 1l6u _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.366 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -174.9 127.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 5.3 pt -108.07 -179.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 28.1 m -115.4 136.72 52.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.578 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 57.9 t -130.91 137.37 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.409 ' CD2' ' HE2' ' A' ' 10' ' ' HIS . 96.7 m-70 -118.61 140.21 50.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.648 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 55.9 m-85 -128.34 117.88 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.416 HD11 ' NH2' ' A' ' 106' ' ' ARG . 12.6 mt -86.37 109.24 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -52.87 158.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -12.42 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -29.4 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.28 -0.89 7.07 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -170.69 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -152.13 115.28 4.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.53 149.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.576 HG22 ' CE1' ' A' ' 10' ' ' HIS . 35.5 m -121.9 120.45 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 9' ' ' VAL . 11.2 t -141.88 131.82 24.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.359 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -92.4 125.6 37.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -91.39 -122.73 2.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.376 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 163.37 101.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -32.66 98.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 132.38 -16.09 4.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 16.3 p-10 -61.47 -152.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -160.05 119.97 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 43.8 mt -42.01 153.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 10.4 tp 87.7 -52.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' A' ' 21' ' ' THR . 68.9 t -61.87 -51.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.23 -51.81 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.58 -32.55 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -72.95 -19.72 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -99.06 14.6 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 38' ' ' LEU . 9.9 t30 72.87 20.67 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 35.17 88.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 28.08 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG23 ' CG2' ' A' ' 107' ' ' VAL . 19.7 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.74 -47.71 0.96 Allowed 'General case' 0 C--O 1.258 1.515 0 CA-C-O 124.613 2.149 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.5 p -61.46 -1.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.371 -1.455 . . . . 0.0 113.499 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.3 tp10 86.26 -8.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.06 28.91 7.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.6 p -97.0 5.69 49.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 90' ' ' LEU . 55.6 mt 72.78 78.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.11 30.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 53' ' ' SER . 31.9 p -142.54 -46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 108.265 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.434 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 2.7 t 61.97 11.72 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.1 p -102.09 23.22 11.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.37 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.632 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 10.1 t -103.13 -122.55 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 108.276 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.402 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 2.4 p80 61.5 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -141.82 168.51 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 85' ' ' THR . 1.0 OUTLIER -101.68 137.57 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -105.22 151.38 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB3' ' CG1' ' A' ' 63' ' ' ILE . 5.2 tt0 -64.0 160.28 18.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 27.3 mt-30 -67.97 136.08 53.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.382 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 82.4 -6.5 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.562 ' CD1' ' CE1' ' A' ' 62' ' ' HIS . 19.6 mm -96.92 -49.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.473 ' CE2' ' O ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -55.3 -41.26 72.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.57 -16.32 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -90.41 -40.68 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.621 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 75.2 mt -48.11 148.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.15 166.72 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.92 -177.44 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 tp -140.01 158.48 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.3 p -81.04 -173.64 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.85 -41.73 35.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -54.49 -56.84 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' CG ' HD23 ' A' ' 90' ' ' LEU . 8.0 tt0 -62.28 -34.45 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . 11.1 t30 -57.07 -37.97 72.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.36 -45.41 80.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 tpp -69.5 -15.46 63.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' CD1' HD22 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.91 -6.91 56.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.14 -48.93 18.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.9 mm? -44.03 -29.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.582 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -41.84 142.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.1 146.37 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 37.97 45.08 1.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD22 ' CD1' ' A' ' 78' ' ' LEU . 9.1 mt -39.88 107.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 0.814 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.467 ' CG2' HD13 ' A' ' 58' ' ' ILE . 5.8 p -76.86 -168.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.473 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.7 t0 -90.27 4.34 50.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HB2' ' CB ' ' A' ' 64' ' ' PHE . 3.9 ptp180 -146.09 25.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -106.78 138.77 42.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -160.11 172.55 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -77.29 121.72 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.21 -139.81 10.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 57.5 m 55.5 44.73 26.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.52 -172.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt 43.29 -161.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 m -140.56 155.97 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.409 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.9 mt -60.57 152.23 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.489 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 23.9 p -130.8 166.11 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.368 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -60.26 -18.56 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.61 6.68 22.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 24.2 mmt -112.95 11.16 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.7 p-10 -57.48 96.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 t30 81.5 37.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.489 ' CG ' HG12 ' A' ' 9' ' ' VAL . 17.7 ptm -71.24 125.91 28.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 m -99.45 142.12 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.0 m -137.92 163.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.416 ' NH2' HD11 ' A' ' 12' ' ' ILE . 21.5 ttm105 -129.81 150.11 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 40' ' ' ILE . 73.4 t -110.3 98.32 35.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -170.12 136.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.527 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.5 pt -111.46 -176.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 102' ' ' ASN . 21.6 m -125.54 112.79 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 11' ' ' PHE . 10.9 t -100.4 143.93 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.419 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 59.3 m-70 -118.98 138.54 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 9' ' ' VAL . 45.0 m-85 -127.52 122.99 34.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' VAL . 7.8 mt -91.26 99.72 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -45.46 164.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -72.16 -15.82 61.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -27.99 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.14 1.53 7.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.1 123.96 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 m -88.18 119.93 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -101.02 147.99 25.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 m -121.12 113.65 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 ' CG2' HG12 ' A' ' 32' ' ' VAL . 14.9 t -132.77 128.75 37.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.361 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -90.4 134.16 34.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.415 ' O ' HG12 ' A' ' 7' ' ' ILE . . . -133.98 135.38 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -76.69 110.28 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.527 ' CG2' ' CG2' ' A' ' 7' ' ' ILE . 1.1 pp -36.15 104.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.92 -18.08 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.51 ' OD2' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -85.43 161.49 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.92 129.29 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' VAL . 61.3 mt -47.04 -56.97 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LEU . 8.9 tp -40.24 -45.76 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.81 -47.37 86.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.51 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 57.4 t -53.39 -50.17 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.14 -53.11 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.3 t -57.68 -35.25 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.174 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.25 -21.35 64.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -98.57 15.67 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' LEU . 28.1 t-20 66.71 22.58 10.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER 36.69 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -98.64 37.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.72 -49.1 2.35 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 124.653 2.168 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.3 p -68.53 3.04 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 120.334 -1.479 . . . . 0.0 113.498 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 5.6 tt0 79.32 -0.85 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.02 26.03 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.5 m -88.89 6.89 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt 68.77 90.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.36 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.217 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -71.12 -45.43 63.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 108.326 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' OG ' ' SD ' ' A' ' 77' ' ' MET . 0.7 OUTLIER 57.63 41.04 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.06 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.4 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 5.6 p -127.47 -40.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.413 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.7 t -41.38 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 108.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.409 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 1.8 p-80 48.71 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' CB ' ' O ' ' A' ' 56' ' ' HIS . 0.5 OUTLIER 169.92 169.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 3.8 mm -119.78 135.69 59.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.481 ' CD2' HD12 ' A' ' 67' ' ' LEU . 8.6 m-85 -123.74 122.72 38.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' CB ' HD13 ' A' ' 63' ' ' ILE . 3.6 tp10 -38.13 141.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -25.79 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.417 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 18.9 m-70 -81.4 -23.61 37.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.559 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.484 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 7.9 mt -94.9 -51.36 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 6.0 t80 -52.17 -39.91 60.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.17 -18.72 61.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.36 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -99.48 12.85 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' A' ' 59' ' ' PHE . 50.8 mt -96.49 175.53 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -86.59 164.14 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.78 135.28 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.416 HD11 ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -89.29 179.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.6 p -116.44 179.53 3.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.17 -53.63 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -46.49 -57.75 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -59.98 -44.23 94.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.45 -41.58 20.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.406 ' SD ' ' OG ' ' A' ' 53' ' ' SER . 3.4 tpp -66.04 -25.17 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -82.37 -41.4 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -44.23 -50.81 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -41.35 -32.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.15 143.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.53 155.2 19.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.26 42.56 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 5.3 mt -41.3 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 p -97.61 178.87 5.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.27 6.03 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -140.12 27.79 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.408 ' CB ' HD21 ' A' ' 84' ' ' LEU . 11.6 p -77.39 160.89 28.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 67' ' ' LEU . 3.8 ttt-85 175.67 144.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HB3' ' NE2' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -64.44 153.41 38.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.92 50.64 0.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 m -141.19 47.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 90' ' ' LEU . 1.4 pt20 -176.65 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.8 tp -66.84 152.73 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 11.4 p -108.85 142.31 39.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 6.9 mt -52.8 162.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 96' ' ' LEU . 1.1 p -148.2 -167.95 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -83.6 -38.96 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.07 -18.02 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 101' ' ' ASP . 14.1 mmt -78.0 -69.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.668 ' C ' ' O ' ' A' ' 100' ' ' MET . 37.9 p-10 14.43 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 0.8 OUTLIER 82.0 36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.527 ' CG ' HG11 ' A' ' 9' ' ' VAL . 18.1 ptm -80.86 123.09 27.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.5 m -98.74 142.75 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.1 m -136.85 166.06 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -132.03 150.08 52.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 42.9 t -111.37 97.89 37.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.39 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -162.76 141.73 8.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.493 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' GLY . 2.5 pt -88.87 170.7 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 99.3 m -109.85 137.46 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.451 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.529 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 47.7 t -130.3 144.05 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.409 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 35.3 m-70 -123.8 141.59 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 37.7 m-85 -130.13 117.91 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 105' ' ' VAL . 12.9 mt -87.35 108.22 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -51.33 150.37 3.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -59.91 -14.67 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.81 -29.96 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.49 -0.27 6.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.571 1.169 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.62 -171.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -150.88 114.66 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.16 150.38 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -121.79 126.95 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.9 t -150.03 129.98 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.378 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -87.89 135.53 33.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -94.15 -139.2 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 176.51 82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.643 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -18.96 95.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 138.23 -11.9 3.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . 6.5 t70 -104.98 150.25 25.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -171.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD13 ' CA ' ' A' ' 91' ' ' GLY . 2.5 mt -96.72 -48.93 5.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' CD2' ' SG ' ' A' ' 92' ' ' CYS . 0.9 OUTLIER -51.01 -48.68 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -54.18 -44.61 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.413 ' CG1' HG21 ' A' ' 21' ' ' THR . 78.4 t -58.84 -50.83 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 38' ' ' LEU . 3.7 t -55.12 -43.27 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.12 -34.32 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.8 mm-40 -68.89 -32.86 72.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -81.22 -14.45 57.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 29.34 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 33' ' ' VAL . 4.2 pp -64.67 158.73 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -113.66 72.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 22.0 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.46 -56.05 2.45 Favored 'General case' 0 C--O 1.257 1.485 0 CA-C-O 124.672 2.177 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 12.7 p -68.33 -0.55 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.372 -1.455 . . . . 0.0 113.44 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 2.5 tt0 88.0 -17.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' HA3' ' SG ' ' A' ' 92' ' ' CYS . . . 107.52 26.26 5.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 64.6 p -96.31 15.93 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 15.3 mt 67.28 97.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 50' ' ' LEU . . . 179.92 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.41 -160.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -159.88 25.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.6 p -119.35 48.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.45 87.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.395 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -145.64 127.82 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -127.57 133.59 49.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -92.45 108.55 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CZ ' HD12 ' A' ' 67' ' ' LEU . 59.7 m-85 -82.0 -169.73 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -104.82 159.76 15.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.233 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.1 tt0 -67.67 74.29 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.412 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER 163.95 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.494 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 28.4 mm -86.61 -49.33 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -53.48 -40.51 65.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -11.95 61.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.364 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -92.58 -22.57 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 93.1 mt -60.01 161.54 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.56 159.77 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.51 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.35 153.07 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -83.34 179.92 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.03 -46.65 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.34 -58.11 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' OE2' ' OE1' ' A' ' 93' ' ' GLN . 4.4 tt0 -59.15 -42.6 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -46.89 -48.54 21.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.27 -58.01 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.2 -35.63 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -66.84 -38.73 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -50.8 -45.32 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.82 -24.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.07 149.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -87.25 146.55 25.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 35.53 49.93 0.99 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -39.29 116.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.47 ' CG2' HD11 ' A' ' 58' ' ' ILE . 6.9 p -88.71 -169.53 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.478 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.71 3.58 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.515 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 7.3 ptp180 -145.96 26.54 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.93 134.24 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 tpp180 -159.41 146.76 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -39.27 147.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.401 ' CA ' HD13 ' A' ' 29' ' ' LEU . . . -104.37 -30.55 4.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.511 ' SG ' ' CD2' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -76.33 171.72 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' OE1' ' OE2' ' A' ' 74' ' ' GLU . 3.0 mt-30 72.54 -67.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 pt -59.92 127.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -87.44 160.98 18.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 108.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.593 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 30.0 mt -63.68 165.88 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.47 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 34.8 p -150.91 160.31 43.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.359 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -56.29 -21.67 25.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.26 -2.1 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.494 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 25.0 mmt -108.3 21.79 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -66.02 99.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.9 OUTLIER 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 152.55 38.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.3 m -116.16 138.9 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 1.3 m -139.47 157.3 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -123.79 151.18 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.12 103.75 46.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.487 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.349 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -169.88 134.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.579 ' HB ' ' HA ' ' A' ' 101' ' ' ASP . 0.9 OUTLIER -97.73 -178.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.237 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ASN . 61.6 m -119.34 136.57 54.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.487 ' HB ' ' CG2' ' A' ' 21' ' ' THR . 89.9 t -130.48 139.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.396 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 95.7 m-70 -119.22 144.9 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.481 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 28.7 m-85 -129.47 131.98 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' VAL . 13.0 mt -100.43 96.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 2.8 t-20 -54.35 144.12 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.52 -22.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.83 -34.79 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.201 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.02 -10.46 7.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 3.5 pt-20 -77.73 150.06 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -110.13 125.99 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -98.42 155.42 17.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.529 ' OG1' ' CE1' ' A' ' 10' ' ' HIS . 19.4 m -123.25 116.52 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.487 ' CG2' ' HB ' ' A' ' 9' ' ' VAL . 5.1 t -130.58 174.38 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -137.66 139.62 40.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.454 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -139.49 145.44 16.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -82.48 110.88 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 1.3 tt -36.26 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 134.53 -7.04 4.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -104.29 147.81 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 0.728 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.99 155.31 40.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' CD2' HD23 ' A' ' 96' ' ' LEU . 10.6 mt -71.74 -44.23 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' ' HA3' ' A' ' 44' ' ' GLY . 7.9 mp -49.03 -47.8 44.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -58.83 -45.87 89.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.86 -56.37 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.635 1.21 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . 21.8 t -52.42 -60.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.5 -42.97 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.5 mm-40 -65.24 -26.76 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.73 7.11 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 43.85 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -60.22 127.15 30.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.8 83.69 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 38' ' ' LEU . 23.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' CD2' ' A' ' 30' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.45 -49.75 1.4 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-O 124.722 2.201 . . . . 0.0 109.389 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.9 p -67.56 -0.77 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.337 -1.477 . . . . 0.0 113.402 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.4 tp10 85.13 -6.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.251 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.3 25.57 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 31.0 p -94.45 7.18 46.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' NE2' ' A' ' 93' ' ' GLN . 66.9 mt 72.4 79.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -176.19 31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' SER . 32.1 p -144.84 -45.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 69.56 6.15 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 43.7 p -117.93 63.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.0 p -155.3 32.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.383 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 17.7 p-80 -96.3 131.86 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 105' ' ' VAL . 0.9 OUTLIER -122.36 172.7 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.7 OUTLIER -119.72 109.48 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.628 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -83.29 130.9 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.1 mt-10 -35.78 152.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 3.1 mt-30 -67.68 79.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.395 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER 160.25 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 3.4 mt -77.42 -48.97 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.481 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 6.3 t80 -57.18 -39.31 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -12.29 31.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.346 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -101.19 -51.63 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.594 HD11 ' CE2' ' A' ' 59' ' ' PHE . 14.8 mt -42.21 163.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.44 -173.22 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.41 -169.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.44 153.21 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -82.95 -175.48 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.4 -57.87 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -43.17 -51.15 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' OE2' ' NE2' ' A' ' 93' ' ' GLN . 41.0 mt-10 -67.28 -35.23 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.32 -31.97 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.63 -58.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.74 -42.88 19.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -42.6 -49.03 5.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -39.99 -30.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' CB ' ' HG ' ' A' ' 84' ' ' LEU . . . -37.56 136.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.409 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -85.28 151.53 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 36.79 42.11 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.467 ' HG ' ' CB ' ' A' ' 81' ' ' ALA . 4.2 mt -43.41 127.04 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 58' ' ' ILE . 5.7 p -101.5 -169.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.51 13.19 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.481 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 1.3 ptp85 -150.58 29.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.3 m -113.89 132.97 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 89' ' ' ARG . 7.7 ttp-105 -168.45 87.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 46.57 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.65 -44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -57.39 -63.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 92' ' ' CYS . 44.7 mt-30 -31.87 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -40.8 135.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.1 p -106.06 164.88 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.479 HD23 ' CD2' ' A' ' 29' ' ' LEU . 2.4 mt -61.06 145.1 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.3 p -140.74 179.33 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.349 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -77.58 -18.17 57.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.59 6.02 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.693 ' O ' ' C ' ' A' ' 101' ' ' ASP . 5.6 mmt -108.72 -51.91 2.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -5.24 101.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.8 t-20 79.85 32.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -78.16 150.87 33.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.2 m -117.92 133.22 56.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 2.2 m -132.28 155.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -118.18 150.9 38.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 40' ' ' ILE . 40.9 t -107.23 108.25 61.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.412 1.743 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -177.42 117.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.595 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 3.5 pt -110.68 -176.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.514 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 60.9 t -130.3 119.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.419 ' CD2' ' HE2' ' A' ' 10' ' ' HIS . 65.7 m-70 -95.86 145.37 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.548 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.527 ' CE1' ' CG2' ' A' ' 21' ' ' THR . 13.4 m-85 -129.6 122.05 28.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.9 97.06 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -55.17 145.25 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.39 -22.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -34.78 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.06 -10.23 8.35 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -79.49 151.99 30.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -104.58 125.32 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 mp -101.38 153.68 19.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -117.75 135.69 53.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 11' ' ' PHE . 11.5 t -165.35 129.54 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -76.84 148.11 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -105.58 -107.39 3.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.379 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 152.44 92.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -32.81 97.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 129.99 -14.72 5.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 32' ' ' VAL . 48.9 t0 -81.98 156.26 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.75 -84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.024 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' SER . 1.7 mt 168.1 -51.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 92' ' ' CYS . 3.5 mp -56.3 -44.69 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -53.63 -42.25 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 83.0 t -57.05 -32.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' CE2' ' A' ' 11' ' ' PHE . 22.1 t -77.5 -36.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -53.34 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.69 -11.42 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -93.75 -5.84 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 31.8 t30 84.11 20.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 36.95 75.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -98.25 37.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CG2' HG13 ' A' ' 107' ' ' VAL . 84.2 mt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.55 -47.22 0.04 OUTLIER 'General case' 0 C--O 1.258 1.536 0 CA-C-O 124.679 2.181 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.7 p -67.6 0.18 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.339 -1.475 . . . . 0.0 113.445 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 15.1 tt0 88.3 -18.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' SG ' ' A' ' 92' ' ' CYS . . . 104.11 75.5 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 p -145.83 11.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.1 mt 69.08 79.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.82 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.9 p -69.02 -45.69 69.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t 60.02 59.08 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.4 p -146.34 -45.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' CD2' ' A' ' 30' ' ' LEU . 3.0 t -50.23 124.59 10.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.384 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -164.93 138.02 4.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.626 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 107' ' ' VAL . 3.5 mm? -135.59 144.61 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 3.6 mm -98.8 109.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CG ' HD13 ' A' ' 67' ' ' LEU . 30.2 m-85 -91.38 131.8 36.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.2 mt-10 -32.61 143.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' CA ' ' HD3' ' A' ' 87' ' ' ARG . 4.0 pt20 -56.09 -15.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.375 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 4.0 t-160 -99.16 -38.7 8.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 33.3 mm -71.76 -46.41 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 10.9 t80 -49.63 -35.96 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.93 -18.33 59.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -88.82 -4.74 58.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.538 HD13 ' CG ' ' A' ' 59' ' ' PHE . 54.5 mt -83.0 172.32 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 89' ' ' ARG . 3.9 mm-40 -92.71 169.31 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.215 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.87 175.45 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.421 ' HB ' ' NH2' ' A' ' 89' ' ' ARG . 1.6 tp -147.43 164.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 p -75.95 -177.46 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.13 -34.25 29.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -51.37 -52.63 44.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -41.92 85.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -48.39 -31.59 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.5 -41.48 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.2 tpp -65.61 -23.05 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -94.14 -15.64 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.64 -52.13 64.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -47.54 -28.81 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -40.26 153.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.93 148.27 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.38 49.83 2.29 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.155 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 5.4 mt -41.33 116.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.4 p -89.43 163.54 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.51 -18.03 62.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.432 ' HD3' ' CA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -121.85 31.0 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 t -84.46 170.11 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.068 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' NH2' ' HB ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -175.3 154.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.88 -113.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.12 -52.3 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.537 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.08 72.45 10.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' CYS . 1.5 mt-30 166.77 51.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -174.1 123.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.25 143.72 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 12.1 mt -69.36 163.51 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.435 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 21.8 p -149.71 -179.37 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.368 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -74.31 -27.38 60.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.92 -4.79 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.624 ' O ' ' C ' ' A' ' 101' ' ' ASP . 16.3 mmt -100.75 -53.71 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' A' ' 100' ' ' MET . 4.3 t70 -19.88 108.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.599 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 13.4 t-20 90.14 20.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -80.37 148.96 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.6 m -116.13 133.19 56.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -129.9 159.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 43.5 ttt180 -120.26 150.91 39.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 40' ' ' ILE . 59.0 t -111.12 97.65 35.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -173.86 136.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 pt -108.48 -178.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 26.5 m -117.55 135.82 53.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.56 HG11 ' CE1' ' A' ' 11' ' ' PHE . 32.0 t -130.89 137.59 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.403 ' CD2' ' HE2' ' A' ' 10' ' ' HIS . 97.8 m-70 -113.47 143.49 44.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE1' HG11 ' A' ' 9' ' ' VAL . 34.4 m-85 -133.88 124.46 26.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.3 mt -92.45 100.89 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.2 t-20 -56.37 140.35 45.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -46.67 -26.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -36.3 82.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' ASN . . . 128.61 -13.29 6.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 8.2 pt-20 -76.66 157.78 31.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.752 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -113.38 127.15 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -99.88 145.92 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 m -119.1 112.84 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.511 HG21 ' CE1' ' A' ' 11' ' ' PHE . 14.5 t -129.2 167.58 17.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.361 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -129.19 127.97 42.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -122.9 148.35 16.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.365 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -94.82 109.08 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' LYS . 1.2 tt -34.59 99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 135.74 -12.42 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -94.53 134.79 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.1 m -53.97 100.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -48.43 -24.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -66.2 -34.06 77.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' SER . 6.2 m-20 -81.27 -35.39 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 29' ' ' LEU . 42.2 t -39.45 -47.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 t -68.8 -46.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' ASP . 57.2 t -55.53 -45.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.0 -32.19 73.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.73 -23.97 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t30 64.71 45.54 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -94.03 157.75 15.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 80.35 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.07 -56.57 8.4 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-O 124.684 2.183 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 20.3 p -70.6 2.03 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 120.271 -1.518 . . . . 0.0 113.452 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 4.4 tt0 84.18 -12.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 93' ' ' GLN . . . 104.79 33.05 3.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -100.57 -0.26 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.446 0.733 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' HD22 ' A' ' 90' ' ' LEU . 20.0 mt 81.66 77.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.84 18.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.13 -22.84 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB2' ' CE ' ' A' ' 77' ' ' MET . 4.8 t 46.98 29.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -142.38 84.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.33 48.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.406 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 2.3 p-80 -110.67 151.36 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 ' CG2' ' A' ' 105' ' ' VAL . 4.5 mp -146.22 168.37 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' CD1' HG22 ' A' ' 85' ' ' THR . 2.4 mm -105.49 108.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CD2' HD11 ' A' ' 67' ' ' LEU . 61.1 m-85 -97.02 126.9 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' CB ' ' CD1' ' A' ' 63' ' ' ILE . 3.3 tt0 -36.13 146.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -57.82 -19.57 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.408 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -92.44 -16.34 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.516 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 12.2 mt -98.93 -51.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CE2' ' NH2' ' A' ' 89' ' ' ARG . 2.8 t80 -49.88 -40.44 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -17.63 60.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.366 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -89.9 -14.53 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 59' ' ' PHE . 72.6 mt -77.5 163.34 26.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -71.47 159.84 33.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.394 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 170.6 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.432 HG12 ' CB ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -125.56 175.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -121.03 179.79 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.456 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.54 -56.37 22.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -45.11 -55.84 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CB ' HG12 ' A' ' 70' ' ' ILE . 18.9 mt-10 -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -58.41 -29.78 66.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.25 -52.76 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 53' ' ' SER . 0.4 OUTLIER -65.92 -8.39 22.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -107.45 -35.6 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.495 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.46 -44.71 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.63 -21.37 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.599 ' HA ' ' CE1' ' A' ' 56' ' ' HIS . . . -41.08 156.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.79 125.33 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.01 -47.13 3.63 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER 45.51 78.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.713 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 58' ' ' ILE . 27.8 p -63.13 -173.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.9 12.42 13.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.4 27.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.54 154.19 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' NH2' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -179.86 154.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 50' ' ' LEU . 41.5 tp -46.2 146.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.32 47.84 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.491 ' O ' ' C ' ' A' ' 93' ' ' GLN . 7.3 p -131.07 -175.89 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 92' ' ' CYS . 10.8 pt20 31.06 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.228 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 8.6 mm -138.61 154.17 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.34 134.76 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD2' ' CE ' ' A' ' 103' ' ' MET . 9.7 mt -44.42 159.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 96' ' ' LEU . 39.9 p -134.36 -173.48 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.358 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -87.87 7.24 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.76 2.9 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.516 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 31.3 mmt -106.44 0.86 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -48.69 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.6 t-20 64.66 44.55 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.477 ' CE ' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -85.62 153.15 22.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -119.05 139.36 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.4 m -137.7 153.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 42.2 ttt85 -120.42 149.44 42.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.432 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 8.9 t -111.4 99.17 43.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -174.94 150.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -122.85 165.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 53.5 m -109.85 118.35 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.589 HG11 ' CE1' ' A' ' 11' ' ' PHE . 23.1 t -109.97 137.97 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.411 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 97.2 m-70 -121.57 144.23 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CE1' HG11 ' A' ' 9' ' ' VAL . 56.4 m-85 -130.82 126.36 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.082 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 mt -90.4 101.04 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -58.31 146.04 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -49.9 -28.64 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -30.03 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.32 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' ASN . 8.5 pt-20 -75.55 156.42 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -113.54 128.59 56.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.405 ' N ' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -95.28 157.16 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.507 HG21 ' CE1' ' A' ' 10' ' ' HIS . 28.7 m -126.51 117.93 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -146.38 124.94 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.375 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -81.62 138.22 35.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.675 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -100.0 -134.87 8.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.373 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 177.05 83.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.675 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -14.51 109.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.27 -12.75 31.11 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 28' ' ' SER . 56.1 t0 -82.88 156.11 23.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.468 ' C ' ' N ' ' A' ' 30' ' ' LEU . 42.1 m -80.52 90.66 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -38.19 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' CD2' ' SG ' ' A' ' 92' ' ' CYS . 0.8 OUTLIER -64.1 -56.73 12.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.2 m-20 -56.82 -44.13 81.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 34.0 t -39.94 -52.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG11 ' CB ' ' A' ' 38' ' ' LEU . 94.1 t -47.37 -65.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.93 -40.56 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -101.65 -1.32 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 64.33 28.23 13.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.425 ' CB ' HG11 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -72.05 128.83 36.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 83.03 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' CG2' ' CG1' ' A' ' 107' ' ' VAL . 26.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.401 ' HA2' ' HB3' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.57 -29.67 16.05 Favored 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.626 2.155 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 p -94.01 6.86 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 120.378 -1.451 . . . . 0.0 113.541 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 73.73 4.28 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 92' ' ' CYS . . . 87.54 28.94 23.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 37.1 p -95.97 9.22 41.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 49' ' ' THR . 94.9 mt 70.53 89.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.71 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.539 ' O ' ' CB ' ' A' ' 53' ' ' SER . 9.8 p -69.23 -47.37 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 0.0 108.263 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 88.28 -17.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 56' ' ' HIS . 2.3 p -88.06 -109.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 5.2 p 44.32 28.79 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.385 ' HE2' ' CE1' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -71.77 162.17 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 105' ' ' VAL . 7.5 tp -168.61 159.27 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.5 mm -116.54 115.93 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 60' ' ' GLU . 6.2 m-85 -91.56 129.36 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PHE . 12.1 mt-10 -33.61 146.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.2 pm0 -64.93 73.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.4 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER 168.94 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 9.3 mm -81.35 -43.1 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 11.5 t80 -53.06 -40.96 64.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.38 -2.84 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.356 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -100.72 -34.21 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 59' ' ' PHE . 31.1 mt -43.51 158.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.77 138.09 55.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.06 134.61 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 tt -84.94 118.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -53.69 -51.01 64.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' THR . 0.8 OUTLIER 153.26 -51.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 4.1 tt0 -51.28 -46.91 62.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.41 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -67.34 -32.71 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.09 -41.16 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 tpt -71.89 -17.96 62.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -84.69 -34.8 22.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.424 ' N ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -42.42 -47.61 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -44.49 -39.18 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -38.71 140.75 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.73 136.95 32.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.32 -48.03 3.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mt 45.42 81.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.583 ' N ' ' HG ' ' A' ' 88' ' ' SER . 74.4 p -64.55 -170.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.64 16.37 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.503 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 9.1 ptp180 -150.0 25.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.583 ' HG ' ' N ' ' A' ' 85' ' ' THR . 6.6 m -78.04 158.82 29.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LEU . 0.7 OUTLIER 178.91 136.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 2.1 tp -39.5 150.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.497 ' O ' ' CD2' ' A' ' 29' ' ' LEU . . . -89.11 -43.72 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.479 ' SG ' ' CD2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.6 -163.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.466 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER 73.26 -63.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.94 153.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.58 153.89 23.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.675 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 17.6 mt -51.39 170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 29.0 p -145.7 174.58 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.347 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -78.4 -13.56 59.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.39 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.445 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 3.8 mmt -112.49 6.14 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.554 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 9.6 t0 -58.77 99.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' THR . 5.4 t-20 81.63 34.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.442 ' CE ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 150.25 35.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -118.13 132.83 56.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 2.8 m -134.71 150.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -112.62 151.13 30.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.521 ' CG1' ' CG2' ' A' ' 40' ' ' ILE . 44.6 t -105.85 105.92 54.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.365 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -175.88 125.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.576 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 2.6 pt -123.91 172.9 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 m -102.99 127.34 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.657 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 60.5 t -130.02 123.68 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.382 ' CD2' ' HE2' ' A' ' 10' ' ' HIS . 98.6 m-70 -99.62 144.21 28.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.657 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 43.8 m-85 -134.07 118.7 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.1 mt -87.09 104.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' GLU . 1.4 t30 -56.25 166.86 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -69.89 -19.12 63.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -26.24 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.73 -9.94 12.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ASN . 5.4 pt-20 -77.11 148.95 35.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 0.813 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -104.11 125.5 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 40' ' ' ILE . 6.1 mp -97.27 150.52 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.0 m -125.71 125.65 43.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -152.25 143.36 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -71.95 -178.52 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' ILE . . . -142.42 -137.53 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.355 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 171.47 69.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.799 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.669 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -13.96 90.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 136.21 -19.06 3.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -84.84 146.08 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -67.65 162.98 22.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.32 -41.8 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 -24.67 64.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.54 -50.69 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -48.9 -31.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.0 -49.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.7 t -60.08 -30.78 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -83.06 -16.06 48.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 26.5 t-20 -93.13 11.5 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 14.8 t-20 82.29 18.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER 33.15 86.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 19' ' ' LEU . 81.2 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.95 -28.56 12.32 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 124.673 2.178 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.1 p -91.72 1.13 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.332 -1.48 . . . . 0.0 113.486 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 0.7 OUTLIER 83.27 -6.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.051 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.78 9.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.0 p -97.48 10.1 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt 70.0 80.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.31 31.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 53' ' ' SER . 30.6 p -145.01 -46.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 73.02 1.11 3.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -113.59 71.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 7.0 p -161.64 32.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.411 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.5 OUTLIER -88.53 155.57 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 106' ' ' ARG . 17.9 mt -152.98 150.68 29.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 2.2 mm -97.54 109.2 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.52 ' CD2' HD12 ' A' ' 67' ' ' LEU . 51.6 m-85 -99.91 126.71 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' CB ' HG13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -38.18 145.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.52 -20.98 14.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.381 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -87.69 -19.25 27.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.549 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 3.2 mt -97.68 -51.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -53.33 -38.74 63.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.73 -17.57 64.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.352 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -94.62 -30.82 14.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 59' ' ' PHE . 70.6 mt -57.63 160.98 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 54.1 mm-40 -73.14 158.48 35.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.4 169.34 14.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.403 ' CG1' ' HG2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -118.47 160.45 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 p -101.51 179.41 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.77 -58.9 5.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -46.54 -53.36 11.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' HG2' ' CG1' ' A' ' 70' ' ' ILE . 6.4 tt0 -62.01 -39.69 93.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -52.89 -41.9 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.01 -46.91 85.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.43 -27.46 69.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -77.67 -42.1 35.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -42.22 -51.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -39.38 -35.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -44.11 134.25 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -84.89 155.16 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 36.13 40.28 0.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.473 ' CD2' ' HB1' ' A' ' 81' ' ' ALA . 7.2 mt -38.73 117.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.7 p -87.47 156.51 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.428 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -55.35 -28.01 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 2.5 ptp180 -110.94 40.42 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.2 t -104.45 164.97 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 39.1 ttm180 173.47 135.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tp -46.13 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 92' ' ' CYS . . . 117.85 -119.06 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 91' ' ' GLY . 4.7 p 49.66 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' A' ' 92' ' ' CYS . 11.5 pt20 30.57 41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -123.58 -170.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.2 p -145.54 141.0 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 97' ' ' THR . 14.1 mt -63.74 171.3 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 34.6 p -156.9 178.81 9.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.38 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -72.42 -23.65 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.15 -3.97 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.396 1.06 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.549 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 27.5 mmt -110.92 15.21 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.627 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 24.2 p-10 -71.13 89.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.5 p-10 92.87 31.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.447 ' HB3' ' HA ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -77.89 150.96 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 111.08 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.7 m -119.17 137.48 53.59 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.455 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.5 m -132.47 158.06 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 66.9 ttt180 -126.1 147.93 49.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.446 ' CG2' HG21 ' A' ' 40' ' ' ILE . 38.8 t -105.66 104.07 46.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.553 1.818 . . . . 0.0 110.993 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.387 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -177.97 114.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 5.2 pt -109.77 -176.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 55.5 m -112.19 131.92 55.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.528 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 40.7 t -129.98 138.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.385 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 97.5 m-70 -116.33 143.97 44.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.545 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 29.6 m-85 -132.28 122.5 25.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' VAL . 12.6 mt -89.73 100.15 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -45.53 169.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -71.51 -23.63 61.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -28.13 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.66 2.69 8.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.65 124.67 28.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 m -86.23 118.65 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 6.6 mp -99.56 148.87 23.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.6 m -120.47 131.27 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -158.31 136.9 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.372 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.376 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -80.34 149.09 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -126.41 139.77 11.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.35 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -93.25 89.5 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.597 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -24.06 97.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 128.48 -29.73 3.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.39 157.64 36.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -74.98 97.95 3.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.26 -26.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -64.72 -43.39 93.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' SER . 89.5 m-20 -71.47 -39.52 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' ASP . 55.4 t -38.97 -35.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.22 -73.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.35 -42.18 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -45.96 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -93.35 24.04 4.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.54 33.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mp -43.48 151.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.76 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.508 ' CA ' ' HB2' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 44' ' ' GLY . . . 163.59 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.258 1.533 0 CA-C-O 124.616 2.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.7 p -91.95 11.09 26.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.34 -1.475 . . . . 0.0 113.449 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 69.91 5.24 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.416 ' HA3' ' HB2' ' A' ' 92' ' ' CYS . . . 83.44 92.21 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.559 ' CG2' ' O ' ' A' ' 49' ' ' THR . 1.3 m -168.86 23.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD22 ' CB ' ' A' ' 77' ' ' MET . 28.9 mt 58.07 84.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.78 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.9 p -74.49 -46.87 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 t 63.41 63.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.61 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.508 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -62.81 130.91 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.402 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 11.8 t-80 -170.96 140.37 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' N ' ' HD1' ' A' ' 56' ' ' HIS . 3.2 mm? -136.44 142.13 43.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 2.8 mm -94.92 115.62 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 51.4 m-85 -85.85 122.9 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' PHE . 34.5 mt-10 -34.09 149.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 6.9 pt20 -65.65 75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.393 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER 172.14 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.522 ' O ' ' CG ' ' A' ' 66' ' ' LYS . 17.7 mm -83.49 -44.44 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.486 ' CE2' ' NH1' ' A' ' 89' ' ' ARG . 5.3 t80 -52.65 -31.97 39.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 6.4 pt-20 -78.08 -4.3 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.352 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -104.57 -23.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' CG ' ' A' ' 59' ' ' PHE . 36.3 mt -62.48 157.05 21.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.16 159.35 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.95 127.98 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.421 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -78.97 160.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.0 p -102.02 179.52 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -60.1 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' A' ' 50' ' ' LEU . 12.7 tt0 -44.96 -51.3 9.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' OE2' ' CD1' ' A' ' 70' ' ' ILE . 54.6 tt0 -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ASP . 63.3 t30 -52.01 -40.69 61.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.37 -51.5 69.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.484 ' CB ' HD22 ' A' ' 50' ' ' LEU . 8.1 tpp -62.3 -14.95 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -100.19 -25.77 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.68 -54.78 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.4 mp -57.18 -20.26 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . -40.36 156.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 121.85 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.01 3.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER 41.33 82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.468 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 40.4 p -67.5 178.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -78.79 -10.34 59.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.542 ' CG ' ' O ' ' A' ' 59' ' ' PHE . 5.5 ptp180 -125.83 17.22 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.74 129.16 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' NH1' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.42 53.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 56' ' ' HIS . 3.3 tt 38.84 -108.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.452 ' N ' HD23 ' A' ' 90' ' ' LEU . . . 127.1 51.02 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.096 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.416 ' HB2' ' HA3' ' A' ' 48' ' ' GLY . 5.8 p -135.96 11.97 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.74 8.71 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 30.5 mm -122.76 143.86 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.5 p -106.46 141.82 37.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -41.34 158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 100' ' ' MET . 33.5 p -144.2 176.57 9.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.364 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -75.35 -27.19 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.12 -4.94 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.455 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 4.4 mmt -100.73 12.58 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.83 100.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.0 OUTLIER 74.18 41.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.408 ' CG ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -80.91 155.05 26.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 m -121.24 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 2.5 m -134.44 164.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 ttt-85 -124.24 150.12 45.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.22 103.89 47.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.366 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -178.16 135.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 4.0 pt -104.45 178.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 26.8 m -112.45 132.74 54.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.56 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 41.6 t -127.29 136.25 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 1.397 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 22.4 m-70 -110.58 138.89 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 41.1 m-85 -129.36 121.69 27.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.08 106.22 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.14 150.15 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -55.36 -22.76 20.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -35.39 80.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.15 -15.01 5.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.71 165.27 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -122.13 122.84 40.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 145.32 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -116.24 113.9 23.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -129.33 172.29 11.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 1.378 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -130.51 133.3 46.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.582 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -98.39 -145.65 19.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 1.367 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -176.26 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.676 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -13.0 92.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 142.25 -21.73 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.437 ' HB2' ' CG ' ' A' ' 24' ' ' LYS . 9.8 t70 -96.07 151.25 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 4.1 t -69.4 177.73 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 91' ' ' GLY . 10.7 mt -99.11 -39.48 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' CB ' ' A' ' 92' ' ' CYS . 3.1 tp -59.77 -28.82 67.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.05 -42.2 26.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 28' ' ' SER . 96.8 t -51.88 -33.08 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.7 -51.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.1 t -57.78 -27.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -83.91 -15.29 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -97.7 16.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.7 t30 77.97 12.23 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 36.4 76.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.96 31.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.22 -28.83 12.8 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 124.683 2.183 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 9.6 p -91.85 3.99 53.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.271 -1.518 . . . . 0.0 113.498 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 76.8 3.19 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.24 91.29 1.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 t -169.69 25.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.1 mt 53.73 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.87 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 21.0 p -75.63 -47.57 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.373 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 p 69.35 6.18 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.8 p -111.27 30.58 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 5.7 p -122.5 18.14 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 1.395 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -59.46 161.08 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 107' ' ' VAL . 92.9 mt -152.68 158.4 42.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 2.4 mm -112.66 107.63 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 47.0 m-85 -93.38 129.88 39.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 2.6 mt-10 -35.55 134.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.698 HE21 ' NH2' ' A' ' 87' ' ' ARG . 6.8 mt-30 -52.78 -20.1 2.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 1.392 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -88.71 -23.15 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.601 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 ' CG2' ' CE ' ' A' ' 100' ' ' MET . 16.1 mt -91.98 -53.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 87' ' ' ARG . 66.9 t80 -49.78 -20.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -93.07 24.49 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 1.378 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -155.36 29.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' CD2' ' HE3' ' A' ' 100' ' ' MET . 35.4 mt -114.03 155.27 26.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.11 159.73 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.88 -170.71 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.466 HG12 ' CG ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -144.92 -177.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.223 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 p -110.05 -168.3 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 75' ' ' ASN . 12.3 p-10 -76.65 -40.81 47.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -49.87 -54.44 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' CG ' HG12 ' A' ' 70' ' ' ILE . 11.1 tt0 -64.75 -46.56 81.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 27.4 t30 -40.76 -39.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.06 -50.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.473 ' CE ' HD12 ' A' ' 90' ' ' LEU . 10.2 tmm? -51.51 -32.08 26.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mt -82.95 -25.66 32.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -43.78 98.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 34.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.42 174.37 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER -99.42 136.29 39.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' THR . . . 35.21 54.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' GLY . 9.0 mt -37.6 98.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' GLY . 62.7 p -67.53 173.19 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -87.3 11.62 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.698 ' NH2' HE21 ' A' ' 61' ' ' GLN . 3.0 ptp180 -149.63 24.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -71.4 138.31 49.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 109.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.531 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . 2.2 mmm180 -151.08 178.5 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.546 ' CD2' ' NE2' ' A' ' 93' ' ' GLN . 1.0 OUTLIER -106.2 151.59 24.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' LEU . . . -150.69 46.81 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.421 ' CB ' HD13 ' A' ' 30' ' ' LEU . 12.0 p -111.39 -30.05 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.546 ' NE2' ' CD2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -120.19 -133.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 93' ' ' GLN . 8.8 pt 46.98 -162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -142.3 142.83 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.351 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.582 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 15.0 mt -59.41 164.99 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.4 p -142.56 154.0 44.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.45 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 1.387 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -53.52 -33.84 55.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.94 -20.23 36.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 109.356 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.512 ' CE ' ' CG2' ' A' ' 63' ' ' ILE . 34.4 mmt -93.22 25.68 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 12.5 p-10 -70.66 90.68 0.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.6 p-10 91.09 24.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.488 ' CE ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.44 155.95 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 m -126.37 143.96 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -141.31 155.17 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -120.47 151.44 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' A' ' 57' ' ' LEU . 92.2 t -112.32 95.94 33.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.442 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.25 -72.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p 174.76 176.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -179.83 132.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -157.85 142.18 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.366 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -174.9 127.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 5.3 pt -108.07 -179.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 28.1 m -115.4 136.72 52.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.578 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 57.9 t -130.91 137.37 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.409 ' CD2' ' HE2' ' A' ' 10' ' ' HIS . 96.7 m-70 -118.61 140.21 50.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.648 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 55.9 m-85 -128.34 117.88 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 HD11 ' NH2' ' A' ' 106' ' ' ARG . 12.6 mt -86.37 109.24 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -52.87 158.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -12.42 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -29.4 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.28 -0.89 7.07 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -170.69 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -152.13 115.28 4.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.53 149.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.576 HG22 ' CE1' ' A' ' 10' ' ' HIS . 35.5 m -121.9 120.45 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 9' ' ' VAL . 11.2 t -141.88 131.82 24.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.359 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -92.4 125.6 37.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -91.39 -122.73 2.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.376 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 163.37 101.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -32.66 98.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 132.38 -16.09 4.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 16.3 p-10 -61.47 -152.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -160.05 119.97 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 43.8 mt -42.01 153.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 10.4 tp 87.7 -52.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' A' ' 21' ' ' THR . 68.9 t -61.87 -51.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.23 -51.81 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.58 -32.55 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -72.95 -19.72 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -99.06 14.6 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 38' ' ' LEU . 9.9 t30 72.87 20.67 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 35.17 88.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 28.08 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG23 ' CG2' ' A' ' 107' ' ' VAL . 19.7 mt -133.64 58.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.8 m-20 -38.86 104.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' THR . . . 143.99 -27.36 2.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.73 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.18 157.62 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.74 -47.71 0.96 Allowed 'General case' 0 C--O 1.258 1.515 0 CA-C-O 124.613 2.149 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.5 p -61.46 -1.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.371 -1.455 . . . . 0.0 113.499 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.3 tp10 86.26 -8.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.632 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 99.06 28.91 7.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.6 p -97.0 5.69 49.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 90' ' ' LEU . 55.6 mt 72.78 78.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.11 30.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.007 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 31.9 p -142.54 -46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 108.265 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.434 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 2.7 t 61.97 11.72 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' GLY . 23.1 p -102.09 23.22 11.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.632 ' O ' ' CG ' ' A' ' 56' ' ' HIS . 10.1 t -103.13 -122.55 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 108.276 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.402 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 2.4 p80 61.5 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -141.82 168.51 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 85' ' ' THR . 1.0 OUTLIER -101.68 137.57 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -105.22 151.38 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB3' ' CG1' ' A' ' 63' ' ' ILE . 5.2 tt0 -64.0 160.28 18.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 27.3 mt-30 -67.97 136.08 53.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.382 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER 82.4 -6.5 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.562 ' CD1' ' CE1' ' A' ' 62' ' ' HIS . 19.6 mm -96.92 -49.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.473 ' CE2' ' O ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -55.3 -41.26 72.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.57 -16.32 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -90.41 -40.68 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.621 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 75.2 mt -48.11 148.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.15 166.72 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.92 -177.44 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 tp -140.01 158.48 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.3 p -81.04 -173.64 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.85 -41.73 35.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -54.49 -56.84 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' CG ' HD23 ' A' ' 90' ' ' LEU . 8.0 tt0 -62.28 -34.45 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . 11.1 t30 -57.07 -37.97 72.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.36 -45.41 80.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 tpp -69.5 -15.46 63.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' CD1' HD22 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.91 -6.91 56.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.14 -48.93 18.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.9 mm? -44.03 -29.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.582 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -41.84 142.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.1 146.37 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 37.97 45.08 1.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD22 ' CD1' ' A' ' 78' ' ' LEU . 9.1 mt -39.88 107.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 0.814 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.467 ' CG2' HD13 ' A' ' 58' ' ' ILE . 5.8 p -76.86 -168.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.473 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.7 t0 -90.27 4.34 50.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HB2' ' CB ' ' A' ' 64' ' ' PHE . 3.9 ptp180 -146.09 25.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -106.78 138.77 42.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -160.11 172.55 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -77.29 121.72 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.21 -139.81 10.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 57.5 m 55.5 44.73 26.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.52 -172.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt 43.29 -161.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 m -140.56 155.97 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.409 HD11 ' CG2' ' A' ' 9' ' ' VAL . 9.9 mt -60.57 152.23 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.489 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 23.9 p -130.8 166.11 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.368 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -60.26 -18.56 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.61 6.68 22.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 24.2 mmt -112.95 11.16 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.7 p-10 -57.48 96.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 t30 81.5 37.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.489 ' CG ' HG12 ' A' ' 9' ' ' VAL . 17.7 ptm -71.24 125.91 28.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 m -99.45 142.12 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.0 m -137.92 163.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.416 ' NH2' HD11 ' A' ' 12' ' ' ILE . 21.5 ttm105 -129.81 150.11 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 40' ' ' ILE . 73.4 t -110.3 98.32 35.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 1.007 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.2 164.81 20.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.47 166.0 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 1.193 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -116.63 163.01 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.7 166.03 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -170.12 136.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.527 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.5 pt -111.46 -176.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 102' ' ' ASN . 21.6 m -125.54 112.79 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 11' ' ' PHE . 10.9 t -100.4 143.93 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.419 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 59.3 m-70 -118.98 138.54 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 9' ' ' VAL . 45.0 m-85 -127.52 122.99 34.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' VAL . 7.8 mt -91.26 99.72 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -45.46 164.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -72.16 -15.82 61.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -27.99 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.14 1.53 7.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.1 123.96 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 m -88.18 119.93 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -101.02 147.99 25.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 m -121.12 113.65 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 ' CG2' HG12 ' A' ' 32' ' ' VAL . 14.9 t -132.77 128.75 37.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.361 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -90.4 134.16 34.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.415 ' O ' HG12 ' A' ' 7' ' ' ILE . . . -133.98 135.38 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -76.69 110.28 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.527 ' CG2' ' CG2' ' A' ' 7' ' ' ILE . 1.1 pp -36.15 104.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.92 -18.08 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.51 ' OD2' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -85.43 161.49 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.92 129.29 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 32' ' ' VAL . 61.3 mt -47.04 -56.97 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' LEU . 8.9 tp -40.24 -45.76 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.81 -47.37 86.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.51 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 57.4 t -53.39 -50.17 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.14 -53.11 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.3 t -57.68 -35.25 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.174 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.25 -21.35 64.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -98.57 15.67 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' LEU . 28.1 t-20 66.71 22.58 10.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER 36.69 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -98.64 37.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 mt -132.34 165.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.08 40.01 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.76 20.22 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.4 141.07 58.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.518 0.775 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.2 161.86 8.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.72 -49.1 2.35 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 124.653 2.168 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.3 p -68.53 3.04 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 120.334 -1.479 . . . . 0.0 113.498 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 5.6 tt0 79.32 -0.85 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.659 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 92.02 26.03 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.5 m -88.89 6.89 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt 68.77 90.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.36 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.217 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.016 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 28.2 p -71.12 -45.43 63.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' OG ' ' SD ' ' A' ' 77' ' ' MET . 0.7 OUTLIER 57.63 41.04 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.06 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.4 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 5.6 p -127.47 -40.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.413 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.7 t -41.38 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 108.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.409 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 1.8 p-80 48.71 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' CB ' ' O ' ' A' ' 56' ' ' HIS . 0.5 OUTLIER 169.92 169.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 3.8 mm -119.78 135.69 59.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.481 ' CD2' HD12 ' A' ' 67' ' ' LEU . 8.6 m-85 -123.74 122.72 38.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' CB ' HD13 ' A' ' 63' ' ' ILE . 3.6 tp10 -38.13 141.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -25.79 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.417 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 18.9 m-70 -81.4 -23.61 37.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.559 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.484 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 7.9 mt -94.9 -51.36 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 6.0 t80 -52.17 -39.91 60.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.17 -18.72 61.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.36 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -99.48 12.85 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.481 HD12 ' CD2' ' A' ' 59' ' ' PHE . 50.8 mt -96.49 175.53 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -86.59 164.14 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.78 135.28 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.416 HD11 ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -89.29 179.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.6 p -116.44 179.53 3.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.17 -53.63 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -46.49 -57.75 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -59.98 -44.23 94.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.45 -41.58 20.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.406 ' SD ' ' OG ' ' A' ' 53' ' ' SER . 3.4 tpp -66.04 -25.17 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -82.37 -41.4 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.455 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -44.23 -50.81 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -41.35 -32.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.15 143.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.53 155.2 19.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.26 42.56 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 5.3 mt -41.3 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 p -97.61 178.87 5.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.27 6.03 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -140.12 27.79 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.408 ' CB ' HD21 ' A' ' 84' ' ' LEU . 11.6 p -77.39 160.89 28.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 67' ' ' LEU . 3.8 ttt-85 175.67 144.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HB3' ' NE2' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -64.44 153.41 38.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.92 50.64 0.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 m -141.19 47.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 90' ' ' LEU . 1.4 pt20 -176.65 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.8 tp -66.84 152.73 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 11.4 p -108.85 142.31 39.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' CB ' ' HA ' ' A' ' 25' ' ' ILE . 6.9 mt -52.8 162.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 96' ' ' LEU . 1.1 p -148.2 -167.95 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -83.6 -38.96 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.07 -18.02 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 101' ' ' ASP . 14.1 mmt -78.0 -69.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.668 ' C ' ' O ' ' A' ' 100' ' ' MET . 37.9 p-10 14.43 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 0.8 OUTLIER 82.0 36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.527 ' CG ' HG11 ' A' ' 9' ' ' VAL . 18.1 ptm -80.86 123.09 27.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.5 m -98.74 142.75 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.1 m -136.85 166.06 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -132.03 150.08 52.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 42.9 t -111.37 97.89 37.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.572 ' HD2' ' CD2' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 1.016 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.12 87.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.62 103.31 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 2.4 pt-20 179.73 134.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 162.11 131.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.39 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -162.76 141.73 8.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.493 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' GLY . 2.5 pt -88.87 170.7 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 99.3 m -109.85 137.46 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.451 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.529 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 47.7 t -130.3 144.05 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.409 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 35.3 m-70 -123.8 141.59 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 37.7 m-85 -130.13 117.91 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 105' ' ' VAL . 12.9 mt -87.35 108.22 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -51.33 150.37 3.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -59.91 -14.67 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.81 -29.96 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.49 -0.27 6.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.571 1.169 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.62 -171.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -150.88 114.66 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.16 150.38 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -121.79 126.95 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.9 t -150.03 129.98 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.378 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -87.89 135.53 33.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.593 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -94.15 -139.2 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 176.51 82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.643 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -18.96 95.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 138.23 -11.9 3.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . 6.5 t70 -104.98 150.25 25.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -171.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD13 ' CA ' ' A' ' 91' ' ' GLY . 2.5 mt -96.72 -48.93 5.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.582 ' HG ' ' CE1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -51.01 -48.68 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -54.18 -44.61 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.413 ' CG1' HG21 ' A' ' 21' ' ' THR . 78.4 t -58.84 -50.83 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 38' ' ' LEU . 3.7 t -55.12 -43.27 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.607 ' CG2' ' CE1' ' A' ' 43' ' ' PHE . 3.1 t -71.12 -34.32 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.8 mm-40 -68.89 -32.86 72.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -81.22 -14.45 57.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 29.34 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 33' ' ' VAL . 4.2 pp -64.67 158.73 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -113.66 72.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 22.0 mt -116.74 111.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.84 92.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.577 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 177.47 -34.79 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' CE1' ' CG2' ' A' ' 34' ' ' VAL . 68.7 t80 -21.41 131.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' PHE . . . -40.75 164.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.46 -56.05 2.45 Favored 'General case' 0 C--O 1.257 1.485 0 CA-C-O 124.672 2.177 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 12.7 p -68.33 -0.55 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.372 -1.455 . . . . 0.0 113.44 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 2.5 tt0 88.0 -17.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.607 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 107.52 26.26 5.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 64.6 p -96.31 15.93 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 15.3 mt 67.28 97.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 50' ' ' LEU . . . 179.92 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.96 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 26.3 p -89.41 -160.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -159.88 25.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 42' ' ' GLY . 16.6 p -119.35 48.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.45 87.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.395 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -145.64 127.82 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -127.57 133.59 49.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -92.45 108.55 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CZ ' HD12 ' A' ' 67' ' ' LEU . 59.7 m-85 -82.0 -169.73 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -104.82 159.76 15.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.233 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.1 tt0 -67.67 74.29 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.412 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER 163.95 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.494 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 28.4 mm -86.61 -49.33 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -53.48 -40.51 65.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -11.95 61.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.364 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -92.58 -22.57 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 93.1 mt -60.01 161.54 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.56 159.77 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.51 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.35 153.07 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -83.34 179.92 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.03 -46.65 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.34 -58.11 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' OE2' ' OE1' ' A' ' 93' ' ' GLN . 4.4 tt0 -59.15 -42.6 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -46.89 -48.54 21.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.27 -58.01 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.2 -35.63 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -66.84 -38.73 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -50.8 -45.32 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.82 -24.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.07 149.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -87.25 146.55 25.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 35.53 49.93 0.99 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -39.29 116.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.47 ' CG2' HD11 ' A' ' 58' ' ' ILE . 6.9 p -88.71 -169.53 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.478 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.71 3.58 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.515 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 7.3 ptp180 -145.96 26.54 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.93 134.24 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 tpp180 -159.41 146.76 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -39.27 147.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.401 ' CA ' HD13 ' A' ' 29' ' ' LEU . . . -104.37 -30.55 4.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.511 ' SG ' ' CD2' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -76.33 171.72 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' OE1' ' OE2' ' A' ' 74' ' ' GLU . 3.0 mt-30 72.54 -67.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 pt -59.92 127.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -87.44 160.98 18.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 108.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.593 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 30.0 mt -63.68 165.88 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.47 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 34.8 p -150.91 160.31 43.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.359 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -56.29 -21.67 25.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.26 -2.1 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.494 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 25.0 mmt -108.3 21.79 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -66.02 99.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.9 OUTLIER 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.17 152.55 38.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.3 m -116.16 138.9 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 1.3 m -139.47 157.3 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -123.79 151.18 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.12 103.75 46.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.487 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.96 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.99 137.68 58.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.79 134.28 55.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.21 153.17 33.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -122.78 162.01 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.349 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -169.88 134.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.579 ' HB ' ' HA ' ' A' ' 101' ' ' ASP . 0.9 OUTLIER -97.73 -178.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.237 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ASN . 61.6 m -119.34 136.57 54.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.487 ' HB ' ' CG2' ' A' ' 21' ' ' THR . 89.9 t -130.48 139.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.396 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 95.7 m-70 -119.22 144.9 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.481 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 28.7 m-85 -129.47 131.98 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' VAL . 13.0 mt -100.43 96.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 2.8 t-20 -54.35 144.12 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.52 -22.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.83 -34.79 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.201 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.02 -10.46 7.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 3.5 pt-20 -77.73 150.06 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -110.13 125.99 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -98.42 155.42 17.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.529 ' OG1' ' CE1' ' A' ' 10' ' ' HIS . 19.4 m -123.25 116.52 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.487 ' CG2' ' HB ' ' A' ' 9' ' ' VAL . 5.1 t -130.58 174.38 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -137.66 139.62 40.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.454 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -139.49 145.44 16.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -82.48 110.88 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 1.3 tt -36.26 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 134.53 -7.04 4.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -104.29 147.81 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 0.728 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.99 155.31 40.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' CD2' HD23 ' A' ' 96' ' ' LEU . 10.6 mt -71.74 -44.23 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 43' ' ' PHE . 7.9 mp -49.03 -47.8 44.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -58.83 -45.87 89.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.86 -56.37 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.635 1.21 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . 21.8 t -52.42 -60.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' A' ' 43' ' ' PHE . 70.9 t -51.5 -42.97 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.5 mm-40 -65.24 -26.76 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.73 7.11 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 43.85 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -60.22 127.15 30.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.8 83.69 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 38' ' ' LEU . 23.8 mt -130.45 131.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 86.4 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 175.69 -33.61 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 6.1 t80 -36.84 138.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.564 ' O ' ' CE2' ' A' ' 43' ' ' PHE . . . -53.75 168.6 1.34 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.45 -49.75 1.4 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-O 124.722 2.201 . . . . 0.0 109.389 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.9 p -67.56 -0.77 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.337 -1.477 . . . . 0.0 113.402 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.4 tp10 85.13 -6.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.251 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.637 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 97.3 25.57 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 31.0 p -94.45 7.18 46.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' NE2' ' A' ' 93' ' ' GLN . 66.9 mt 72.4 79.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -176.19 31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 32.1 p -144.84 -45.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 69.56 6.15 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 43.7 p -117.93 63.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.799 ' SG ' 'FE2 ' ' A' ' 146' ' ' FES . 7.0 p -155.3 32.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.383 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 17.7 p-80 -96.3 131.86 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 105' ' ' VAL . 0.9 OUTLIER -122.36 172.7 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.7 OUTLIER -119.72 109.48 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.628 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -83.29 130.9 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.1 mt-10 -35.78 152.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 3.1 mt-30 -67.68 79.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.395 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER 160.25 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.44 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 3.4 mt -77.42 -48.97 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.481 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 6.3 t80 -57.18 -39.31 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -12.29 31.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.346 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -101.19 -51.63 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.594 HD11 ' CE2' ' A' ' 59' ' ' PHE . 14.8 mt -42.21 163.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.44 -173.22 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.41 -169.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.44 153.21 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -82.95 -175.48 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.4 -57.87 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -43.17 -51.15 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' OE2' ' NE2' ' A' ' 93' ' ' GLN . 41.0 mt-10 -67.28 -35.23 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.32 -31.97 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.63 -58.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.74 -42.88 19.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -42.6 -49.03 5.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -39.99 -30.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' CB ' ' HG ' ' A' ' 84' ' ' LEU . . . -37.56 136.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.409 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -85.28 151.53 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 36.79 42.11 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.467 ' HG ' ' CB ' ' A' ' 81' ' ' ALA . 4.2 mt -43.41 127.04 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 58' ' ' ILE . 5.7 p -101.5 -169.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.51 13.19 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.481 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 1.3 ptp85 -150.58 29.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.3 m -113.89 132.97 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 89' ' ' ARG . 7.7 ttp-105 -168.45 87.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 46.57 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.65 -44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -57.39 -63.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 92' ' ' CYS . 44.7 mt-30 -31.87 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -40.8 135.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.1 p -106.06 164.88 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.479 HD23 ' CD2' ' A' ' 29' ' ' LEU . 2.4 mt -61.06 145.1 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.3 p -140.74 179.33 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.349 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -77.58 -18.17 57.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.59 6.02 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.693 ' O ' ' C ' ' A' ' 101' ' ' ASP . 5.6 mmt -108.72 -51.91 2.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -5.24 101.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.8 t-20 79.85 32.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -78.16 150.87 33.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.2 m -117.92 133.22 56.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 2.2 m -132.28 155.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -118.18 150.9 38.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 40' ' ' ILE . 40.9 t -107.23 108.25 61.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.412 1.743 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.982 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.97 174.65 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -157.17 164.06 38.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.073 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.89 173.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.75 162.45 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.386 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -177.42 117.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.595 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 3.5 pt -110.68 -176.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.514 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 60.9 t -130.3 119.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.419 ' CD2' ' HE2' ' A' ' 10' ' ' HIS . 65.7 m-70 -95.86 145.37 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.548 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.527 ' CE1' ' CG2' ' A' ' 21' ' ' THR . 13.4 m-85 -129.6 122.05 28.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.9 97.06 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -55.17 145.25 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.39 -22.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -34.78 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.06 -10.23 8.35 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -79.49 151.99 30.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -104.58 125.32 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.4 mp -101.38 153.68 19.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.8 m -117.75 135.69 53.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 11' ' ' PHE . 11.5 t -165.35 129.54 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -76.84 148.11 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -105.58 -107.39 3.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.379 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 152.44 92.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -32.81 97.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 129.99 -14.72 5.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 32' ' ' VAL . 48.9 t0 -81.98 156.26 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.75 -84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.024 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' SER . 1.7 mt 168.1 -51.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 92' ' ' CYS . 3.5 mp -56.3 -44.69 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -53.63 -42.25 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 83.0 t -57.05 -32.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' CE2' ' A' ' 11' ' ' PHE . 22.1 t -77.5 -36.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -53.34 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.69 -11.42 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -93.75 -5.84 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 31.8 t30 84.11 20.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 36.95 75.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -98.25 37.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CG2' HG13 ' A' ' 107' ' ' VAL . 84.2 mt -140.73 145.53 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -100.64 95.02 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.37 -27.79 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -40.31 160.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 55' ' ' CYS . . . -59.54 -153.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.55 -47.22 0.04 OUTLIER 'General case' 0 C--O 1.258 1.536 0 CA-C-O 124.679 2.181 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.7 p -67.6 0.18 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.339 -1.475 . . . . 0.0 113.445 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 15.1 tt0 88.3 -18.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.604 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 104.11 75.5 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 p -145.83 11.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.1 mt 69.08 79.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.82 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.056 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 24.9 p -69.02 -45.69 69.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t 60.02 59.08 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.4 p -146.34 -45.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' CD2' ' A' ' 30' ' ' LEU . 3.0 t -50.23 124.59 10.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.384 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -164.93 138.02 4.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.626 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 107' ' ' VAL . 3.5 mm? -135.59 144.61 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 3.6 mm -98.8 109.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CG ' HD13 ' A' ' 67' ' ' LEU . 30.2 m-85 -91.38 131.8 36.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.2 mt-10 -32.61 143.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.432 ' CA ' ' HD3' ' A' ' 87' ' ' ARG . 4.0 pt20 -56.09 -15.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.375 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 4.0 t-160 -99.16 -38.7 8.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 33.3 mm -71.76 -46.41 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 10.9 t80 -49.63 -35.96 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.93 -18.33 59.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.383 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -88.82 -4.74 58.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.538 HD13 ' CG ' ' A' ' 59' ' ' PHE . 54.5 mt -83.0 172.32 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 89' ' ' ARG . 3.9 mm-40 -92.71 169.31 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.215 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.87 175.45 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.421 ' HB ' ' NH2' ' A' ' 89' ' ' ARG . 1.6 tp -147.43 164.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 p -75.95 -177.46 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.13 -34.25 29.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -51.37 -52.63 44.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -41.92 85.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -48.39 -31.59 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.5 -41.48 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.2 tpp -65.61 -23.05 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -94.14 -15.64 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -62.64 -52.13 64.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -47.54 -28.81 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -40.26 153.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.93 148.27 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.38 49.83 2.29 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.155 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 5.4 mt -41.33 116.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.4 p -89.43 163.54 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.51 -18.03 62.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' HD3' ' CA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -121.85 31.0 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 t -84.46 170.11 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.068 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' NH2' ' HB ' ' A' ' 70' ' ' ILE . 0.2 OUTLIER -175.3 154.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.88 -113.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.12 -52.3 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.537 ' N ' ' CD1' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.08 72.45 10.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' CYS . 1.5 mt-30 166.77 51.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -174.1 123.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.25 143.72 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 12.1 mt -69.36 163.51 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.435 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 21.8 p -149.71 -179.37 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.368 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -74.31 -27.38 60.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.92 -4.79 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.624 ' O ' ' C ' ' A' ' 101' ' ' ASP . 16.3 mmt -100.75 -53.71 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.624 ' C ' ' O ' ' A' ' 100' ' ' MET . 4.3 t70 -19.88 108.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.599 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 13.4 t-20 90.14 20.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -80.37 148.96 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.6 m -116.13 133.19 56.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -129.9 159.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 43.5 ttt180 -120.26 150.91 39.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 40' ' ' ILE . 59.0 t -111.12 97.65 35.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 1.056 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -130.62 157.54 42.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -131.58 147.06 52.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.8 162.88 25.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -124.15 156.06 37.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -173.86 136.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 pt -108.48 -178.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 26.5 m -117.55 135.82 53.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG11 ' CE1' ' A' ' 11' ' ' PHE . 32.0 t -130.89 137.59 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.403 ' CD2' ' HE2' ' A' ' 10' ' ' HIS . 97.8 m-70 -113.47 143.49 44.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE1' HG11 ' A' ' 9' ' ' VAL . 34.4 m-85 -133.88 124.46 26.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.3 mt -92.45 100.89 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.2 t-20 -56.37 140.35 45.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -46.67 -26.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -36.3 82.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' ASN . . . 128.61 -13.29 6.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 8.2 pt-20 -76.66 157.78 31.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.752 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -113.38 127.15 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -99.88 145.92 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 m -119.1 112.84 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.511 HG21 ' CE1' ' A' ' 11' ' ' PHE . 14.5 t -129.2 167.58 17.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.361 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -129.19 127.97 42.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -122.9 148.35 16.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.365 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -94.82 109.08 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' LYS . 1.2 tt -34.59 99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 135.74 -12.42 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -94.53 134.79 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.1 m -53.97 100.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -48.43 -24.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -66.2 -34.06 77.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' SER . 6.2 m-20 -81.27 -35.39 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 29' ' ' LEU . 42.2 t -39.45 -47.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.59 HG13 ' CD1' ' A' ' 43' ' ' PHE . 9.5 t -68.8 -46.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.535 ' HA ' ' CZ ' ' A' ' 43' ' ' PHE . 57.2 t -55.53 -45.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.0 -32.19 73.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.73 -23.97 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t30 64.71 45.54 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -94.03 157.75 15.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 80.35 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.0 mt -130.97 169.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.32 23.4 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' O ' ' CD1' ' A' ' 30' ' ' LEU . . . -109.11 7.48 32.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' CD1' HG13 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -62.29 -11.35 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' CA ' ' S2 ' ' A' ' 146' ' ' FES . . . 58.1 105.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.07 -56.57 8.4 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-O 124.684 2.183 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 20.3 p -70.6 2.03 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 120.271 -1.518 . . . . 0.0 113.452 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 4.4 tt0 84.18 -12.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.663 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 104.79 33.05 3.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -100.57 -0.26 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.446 0.733 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' HD22 ' A' ' 90' ' ' LEU . 20.0 mt 81.66 77.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.84 18.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.98 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 26.3 p -132.13 -22.84 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB2' ' CE ' ' A' ' 77' ' ' MET . 4.8 t 46.98 29.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -142.38 84.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -178.33 48.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.406 ' CD2' ' HE2' ' A' ' 56' ' ' HIS . 2.3 p-80 -110.67 151.36 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 ' CG2' ' A' ' 105' ' ' VAL . 4.5 mp -146.22 168.37 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' CD1' HG22 ' A' ' 85' ' ' THR . 2.4 mm -105.49 108.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CD2' HD11 ' A' ' 67' ' ' LEU . 61.1 m-85 -97.02 126.9 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' CB ' ' CD1' ' A' ' 63' ' ' ILE . 3.3 tt0 -36.13 146.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -57.82 -19.57 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.408 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -92.44 -16.34 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.516 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 12.2 mt -98.93 -51.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' CE2' ' NH2' ' A' ' 89' ' ' ARG . 2.8 t80 -49.88 -40.44 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -17.63 60.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.366 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -89.9 -14.53 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 59' ' ' PHE . 72.6 mt -77.5 163.34 26.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -71.47 159.84 33.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.394 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 170.6 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.432 HG12 ' CB ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -125.56 175.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -121.03 179.79 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.456 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.54 -56.37 22.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -45.11 -55.84 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CB ' HG12 ' A' ' 70' ' ' ILE . 18.9 mt-10 -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -58.41 -29.78 66.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.25 -52.76 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 53' ' ' SER . 0.4 OUTLIER -65.92 -8.39 22.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.7 OUTLIER -107.45 -35.6 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.495 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.46 -44.71 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.63 -21.37 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.599 ' HA ' ' CE1' ' A' ' 56' ' ' HIS . . . -41.08 156.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.79 125.33 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.01 -47.13 3.63 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER 45.51 78.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.713 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 58' ' ' ILE . 27.8 p -63.13 -173.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.9 12.42 13.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.4 27.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.54 154.19 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' NH2' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -179.86 154.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 50' ' ' LEU . 41.5 tp -46.2 146.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.32 47.84 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.491 ' O ' ' C ' ' A' ' 93' ' ' GLN . 7.3 p -131.07 -175.89 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 92' ' ' CYS . 10.8 pt20 31.06 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.228 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 8.6 mm -138.61 154.17 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.34 134.76 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD2' ' CE ' ' A' ' 103' ' ' MET . 9.7 mt -44.42 159.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.409 HG22 ' C ' ' A' ' 96' ' ' LEU . 39.9 p -134.36 -173.48 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.358 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -87.87 7.24 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.76 2.9 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.516 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 31.3 mmt -106.44 0.86 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -48.69 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.6 t-20 64.66 44.55 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.477 ' CE ' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -85.62 153.15 22.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -119.05 139.36 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.4 m -137.7 153.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 42.2 ttt85 -120.42 149.44 42.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.432 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 8.9 t -111.4 99.17 43.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.98 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 3' ' ' SER . 14.0 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m 64.9 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 1' ' ' SER . 1.1 m -39.97 138.16 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.63 -62.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.55 161.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.377 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -174.94 150.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HB ' ' HA ' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -122.85 165.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 53.5 m -109.85 118.35 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.589 HG11 ' CE1' ' A' ' 11' ' ' PHE . 23.1 t -109.97 137.97 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.411 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 97.2 m-70 -121.57 144.23 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CE1' HG11 ' A' ' 9' ' ' VAL . 56.4 m-85 -130.82 126.36 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.082 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 mt -90.4 101.04 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -58.31 146.04 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -49.9 -28.64 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -30.03 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.32 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' ASN . 8.5 pt-20 -75.55 156.42 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -113.54 128.59 56.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' N ' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -95.28 157.16 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.507 HG21 ' CE1' ' A' ' 10' ' ' HIS . 28.7 m -126.51 117.93 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -146.38 124.94 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.375 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -81.62 138.22 35.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.675 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -100.0 -134.87 8.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.373 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 177.05 83.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.675 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -14.51 109.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.27 -12.75 31.11 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 28' ' ' SER . 56.1 t0 -82.88 156.11 23.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.468 ' C ' ' N ' ' A' ' 30' ' ' LEU . 42.1 m -80.52 90.66 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -38.19 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' CD2' ' SG ' ' A' ' 92' ' ' CYS . 0.8 OUTLIER -64.1 -56.73 12.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.2 m-20 -56.82 -44.13 81.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 34.0 t -39.94 -52.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG11 ' CB ' ' A' ' 38' ' ' LEU . 94.1 t -47.37 -65.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.93 -40.56 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -101.65 -1.32 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 64.33 28.23 13.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' CB ' HG11 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -72.05 128.83 36.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 83.03 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.665 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 26.4 mt -123.27 139.59 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -86.51 48.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.86 33.27 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.665 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -97.44 38.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 43' ' ' PHE . . . 57.25 115.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.57 -29.67 16.05 Favored 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.626 2.155 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 p -94.01 6.86 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 120.378 -1.451 . . . . 0.0 113.541 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 73.73 4.28 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.666 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 87.54 28.94 23.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 37.1 p -95.97 9.22 41.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 49' ' ' THR . 94.9 mt 70.53 89.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.71 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.029 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 9.8 p -69.23 -47.37 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 0.0 108.263 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 88.28 -17.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 56' ' ' HIS . 2.3 p -88.06 -109.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.505 ' HB3' ' S2 ' ' A' ' 146' ' ' FES . 5.2 p 44.32 28.79 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.385 ' HE2' ' CE1' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -71.77 162.17 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 105' ' ' VAL . 7.5 tp -168.61 159.27 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 1.5 mm -116.54 115.93 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 60' ' ' GLU . 6.2 m-85 -91.56 129.36 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PHE . 12.1 mt-10 -33.61 146.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.2 pm0 -64.93 73.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.4 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER 168.94 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 9.3 mm -81.35 -43.1 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 11.5 t80 -53.06 -40.96 64.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.38 -2.84 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.356 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -100.72 -34.21 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 59' ' ' PHE . 31.1 mt -43.51 158.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.77 138.09 55.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.06 134.61 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.0 tt -84.94 118.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -53.69 -51.01 64.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' THR . 0.8 OUTLIER 153.26 -51.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 4.1 tt0 -51.28 -46.91 62.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.41 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -67.34 -32.71 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.09 -41.16 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 tpt -71.89 -17.96 62.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -84.69 -34.8 22.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' N ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -42.42 -47.61 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -44.49 -39.18 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -38.71 140.75 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.73 136.95 32.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.32 -48.03 3.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.8 mt 45.42 81.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.583 ' N ' ' HG ' ' A' ' 88' ' ' SER . 74.4 p -64.55 -170.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.64 16.37 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.503 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 9.1 ptp180 -150.0 25.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.583 ' HG ' ' N ' ' A' ' 85' ' ' THR . 6.6 m -78.04 158.82 29.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LEU . 0.7 OUTLIER 178.91 136.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 93' ' ' GLN . 2.1 tp -39.5 150.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.497 ' O ' ' CD2' ' A' ' 29' ' ' LEU . . . -89.11 -43.72 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.479 ' SG ' ' CD2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.6 -163.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.466 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER 73.26 -63.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.94 153.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.58 153.89 23.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.675 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 17.6 mt -51.39 170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 29.0 p -145.7 174.58 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.347 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -78.4 -13.56 59.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.39 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.445 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 3.8 mmt -112.49 6.14 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.554 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 9.6 t0 -58.77 99.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' THR . 5.4 t-20 81.63 34.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.442 ' CE ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 150.25 35.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -118.13 132.83 56.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 2.8 m -134.71 150.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -112.62 151.13 30.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.521 ' CG1' ' CG2' ' A' ' 40' ' ' ILE . 44.6 t -105.85 105.92 54.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 1.029 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.17 124.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p 174.04 122.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.19 172.14 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -107.49 154.0 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.365 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -175.88 125.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.576 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 2.6 pt -123.91 172.9 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 m -102.99 127.34 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.657 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 60.5 t -130.02 123.68 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.382 ' CD2' ' HE2' ' A' ' 10' ' ' HIS . 98.6 m-70 -99.62 144.21 28.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.657 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 43.8 m-85 -134.07 118.7 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.1 mt -87.09 104.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' GLU . 1.4 t30 -56.25 166.86 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -69.89 -19.12 63.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -26.24 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.73 -9.94 12.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ASN . 5.4 pt-20 -77.11 148.95 35.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 0.813 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -104.11 125.5 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 40' ' ' ILE . 6.1 mp -97.27 150.52 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.0 m -125.71 125.65 43.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -152.25 143.36 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.388 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -71.95 -178.52 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' ILE . . . -142.42 -137.53 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.355 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . 171.47 69.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.799 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.669 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -13.96 90.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 136.21 -19.06 3.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -84.84 146.08 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -67.65 162.98 22.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.32 -41.8 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' CD2' ' S2 ' ' A' ' 146' ' ' FES . 0.4 OUTLIER -59.9 -24.67 64.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.54 -50.69 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.4 t -48.9 -31.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.0 -49.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.7 t -60.08 -30.78 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -83.06 -16.06 48.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 26.5 t-20 -93.13 11.5 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 14.8 t-20 82.29 18.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER 33.15 86.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 19' ' ' LEU . 81.2 mt -138.16 70.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.01 20.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.48 4.45 24.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 2.0 t80 37.57 -143.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' PHE . . . -36.06 125.82 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.95 -28.56 12.32 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 124.673 2.178 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.1 p -91.72 1.13 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.332 -1.48 . . . . 0.0 113.486 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 0.7 OUTLIER 83.27 -6.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.051 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.656 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 96.35 27.78 9.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.0 p -97.48 10.1 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt 70.0 80.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.31 31.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.98 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 30.6 p -145.01 -46.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 73.02 1.11 3.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -113.59 71.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.725 ' SG ' 'FE2 ' ' A' ' 146' ' ' FES . 7.0 p -161.64 32.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.411 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.5 OUTLIER -88.53 155.57 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 17.9 mt -152.98 150.68 29.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 2.2 mm -97.54 109.2 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.52 ' CD2' HD12 ' A' ' 67' ' ' LEU . 51.6 m-85 -99.91 126.71 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' CB ' HG13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -38.18 145.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.52 -20.98 14.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.381 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -87.69 -19.25 27.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 3.2 mt -97.68 -51.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -53.33 -38.74 63.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.73 -17.57 64.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.352 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -94.62 -30.82 14.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 59' ' ' PHE . 70.6 mt -57.63 160.98 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 54.1 mm-40 -73.14 158.48 35.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.4 169.34 14.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.403 ' CG1' ' HG2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -118.47 160.45 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 p -101.51 179.41 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.77 -58.9 5.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -46.54 -53.36 11.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' HG2' ' CG1' ' A' ' 70' ' ' ILE . 6.4 tt0 -62.01 -39.69 93.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -52.89 -41.9 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.01 -46.91 85.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.43 -27.46 69.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -77.67 -42.1 35.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -42.22 -51.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -39.38 -35.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -44.11 134.25 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -84.89 155.16 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 36.13 40.28 0.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.473 ' CD2' ' HB1' ' A' ' 81' ' ' ALA . 7.2 mt -38.73 117.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.7 p -87.47 156.51 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.428 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -55.35 -28.01 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 2.5 ptp180 -110.94 40.42 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.2 t -104.45 164.97 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 39.1 ttm180 173.47 135.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tp -46.13 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 92' ' ' CYS . . . 117.85 -119.06 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 91' ' ' GLY . 4.7 p 49.66 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' A' ' 92' ' ' CYS . 11.5 pt20 30.57 41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -123.58 -170.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.2 p -145.54 141.0 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 97' ' ' THR . 14.1 mt -63.74 171.3 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 34.6 p -156.9 178.81 9.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.38 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -72.42 -23.65 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.15 -3.97 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.396 1.06 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.549 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 27.5 mmt -110.92 15.21 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.627 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 24.2 p-10 -71.13 89.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.5 p-10 92.87 31.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.447 ' HB3' ' HA ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -77.89 150.96 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 111.08 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.7 m -119.17 137.48 53.59 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.455 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.5 m -132.47 158.06 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 66.9 ttt180 -126.1 147.93 49.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.446 ' CG2' HG21 ' A' ' 40' ' ' ILE . 38.8 t -105.66 104.07 46.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.553 1.818 . . . . 0.0 110.993 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 0.98 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 p -167.13 170.94 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.43 168.87 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -156.21 171.27 20.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.95 155.27 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.387 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -177.97 114.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 5.2 pt -109.77 -176.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 55.5 m -112.19 131.92 55.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.528 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 40.7 t -129.98 138.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.385 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 97.5 m-70 -116.33 143.97 44.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.545 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 29.6 m-85 -132.28 122.5 25.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' VAL . 12.6 mt -89.73 100.15 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -45.53 169.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -71.51 -23.63 61.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -28.13 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.66 2.69 8.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.65 124.67 28.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 m -86.23 118.65 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 6.6 mp -99.56 148.87 23.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.6 m -120.47 131.27 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 t -158.31 136.9 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.372 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.376 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -80.34 149.09 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -126.41 139.77 11.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.35 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -93.25 89.5 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.597 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -24.06 97.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 128.48 -29.73 3.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.39 157.64 36.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -74.98 97.95 3.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -45.26 -26.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' SER . 0.4 OUTLIER -64.72 -43.39 93.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' SER . 89.5 m-20 -71.47 -39.52 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' ASP . 55.4 t -38.97 -35.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.22 -73.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.545 HG22 ' CD2' ' A' ' 43' ' ' PHE . 3.8 t -51.35 -42.18 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -45.96 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -93.35 24.04 4.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.54 33.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mp -43.48 151.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.76 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' ASP . 15.6 mt -139.95 59.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -38.66 112.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . 136.83 -13.61 3.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' HG22 ' A' ' 34' ' ' VAL . 2.2 t80 -36.71 94.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 0.784 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.508 ' CA ' ' HB2' ' A' ' 55' ' ' CYS . . . 35.77 -125.47 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 44' ' ' GLY . . . 163.59 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.258 1.533 0 CA-C-O 124.616 2.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.7 p -91.95 11.09 26.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.34 -1.475 . . . . 0.0 113.449 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 69.91 5.24 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.678 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 83.44 92.21 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.559 ' CG2' ' O ' ' A' ' 49' ' ' THR . 1.3 m -168.86 23.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD22 ' CB ' ' A' ' 77' ' ' MET . 28.9 mt 58.07 84.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.78 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.045 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 18.9 p -74.49 -46.87 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 t 63.41 63.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.61 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.508 ' HB2' ' CA ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -62.81 130.91 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.402 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 11.8 t-80 -170.96 140.37 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' N ' ' HD1' ' A' ' 56' ' ' HIS . 3.2 mm? -136.44 142.13 43.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 2.8 mm -94.92 115.62 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.542 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 51.4 m-85 -85.85 122.9 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' PHE . 34.5 mt-10 -34.09 149.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 6.9 pt20 -65.65 75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.393 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER 172.14 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.522 ' O ' ' CG ' ' A' ' 66' ' ' LYS . 17.7 mm -83.49 -44.44 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.486 ' CE2' ' NH1' ' A' ' 89' ' ' ARG . 5.3 t80 -52.65 -31.97 39.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 6.4 pt-20 -78.08 -4.3 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.352 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -104.57 -23.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD13 ' CG ' ' A' ' 59' ' ' PHE . 36.3 mt -62.48 157.05 21.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.16 159.35 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.95 127.98 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.421 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -78.97 160.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.0 p -102.02 179.52 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -60.1 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' A' ' 50' ' ' LEU . 12.7 tt0 -44.96 -51.3 9.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' OE2' ' CD1' ' A' ' 70' ' ' ILE . 54.6 tt0 -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ASP . 63.3 t30 -52.01 -40.69 61.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.37 -51.5 69.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.484 ' CB ' HD22 ' A' ' 50' ' ' LEU . 8.1 tpp -62.3 -14.95 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -100.19 -25.77 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -69.68 -54.78 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.4 mp -57.18 -20.26 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LEU . . . -40.36 156.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 121.85 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.01 3.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER 41.33 82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.468 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 40.4 p -67.5 178.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -78.79 -10.34 59.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.542 ' CG ' ' O ' ' A' ' 59' ' ' PHE . 5.5 ptp180 -125.83 17.22 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.74 129.16 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' NH1' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.42 53.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 56' ' ' HIS . 3.3 tt 38.84 -108.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.452 ' N ' HD23 ' A' ' 90' ' ' LEU . . . 127.1 51.02 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.096 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.416 ' HB2' ' HA3' ' A' ' 48' ' ' GLY . 5.8 p -135.96 11.97 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.74 8.71 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 30.5 mm -122.76 143.86 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 10.5 p -106.46 141.82 37.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -41.34 158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 100' ' ' MET . 33.5 p -144.2 176.57 9.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.364 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -75.35 -27.19 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.12 -4.94 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.455 ' SD ' ' CG2' ' A' ' 63' ' ' ILE . 4.4 mmt -100.73 12.58 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.83 100.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.0 OUTLIER 74.18 41.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.408 ' CG ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -80.91 155.05 26.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 m -121.24 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 2.5 m -134.44 164.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 ttt-85 -124.24 150.12 45.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 47.2 t -106.22 103.89 47.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 1.045 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -122.43 159.74 26.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -139.98 179.16 6.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -155.23 125.51 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -164.56 110.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.366 ' HZ3' ' CE ' ' A' ' 6' ' ' LYS . . . -178.16 135.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 4.0 pt -104.45 178.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 26.8 m -112.45 132.74 54.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.56 ' CG1' ' CE1' ' A' ' 11' ' ' PHE . 41.6 t -127.29 136.25 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 1.397 ' HE2' ' CD2' ' A' ' 10' ' ' HIS . 22.4 m-70 -110.58 138.89 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE1' ' CG1' ' A' ' 9' ' ' VAL . 41.1 m-85 -129.36 121.69 27.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.08 106.22 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.14 150.15 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -55.36 -22.76 20.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -35.39 80.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.15 -15.01 5.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.71 165.27 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -122.13 122.84 40.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 145.32 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -116.24 113.9 23.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -129.33 172.29 11.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 1.378 ' HZ3' ' CE ' ' A' ' 22' ' ' LYS . . . -130.51 133.3 46.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.582 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -98.39 -145.65 19.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 1.367 ' HZ3' ' CE ' ' A' ' 24' ' ' LYS . . . -176.26 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.676 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -13.0 92.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 142.25 -21.73 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' HB2' ' CG ' ' A' ' 24' ' ' LYS . 9.8 t70 -96.07 151.25 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 4.1 t -69.4 177.73 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 91' ' ' GLY . 10.7 mt -99.11 -39.48 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' CB ' ' A' ' 92' ' ' CYS . 3.1 tp -59.77 -28.82 67.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.05 -42.2 26.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 28' ' ' SER . 96.8 t -51.88 -33.08 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG22 ' CE2' ' A' ' 43' ' ' PHE . 22.1 t -75.7 -51.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.1 t -57.78 -27.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -83.91 -15.29 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -97.7 16.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.7 t30 77.97 12.23 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 36.4 76.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.96 31.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 41' ' ' ASP . 31.0 mt -140.66 57.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.4 m-20 -39.49 114.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.2 -22.86 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.421 1.075 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 33' ' ' VAL . 2.5 t80 -52.0 107.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.717 . . . . 0.0 110.998 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 55' ' ' CYS . . . 60.6 118.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.22 -28.83 12.8 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 124.683 2.183 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 9.6 p -91.85 3.99 53.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.271 -1.518 . . . . 0.0 113.498 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 76.8 3.19 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.642 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 87.24 91.29 1.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 t -169.69 25.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.1 mt 53.73 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.87 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.073 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 21.0 p -75.63 -47.57 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.373 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 p 69.35 6.18 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.8 p -111.27 30.58 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.623 ' SG ' 'FE2 ' ' A' ' 146' ' ' FES . 5.7 p -122.5 18.14 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 1.395 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -59.46 161.08 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 107' ' ' VAL . 92.9 mt -152.68 158.4 42.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 2.4 mm -112.66 107.63 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 47.0 m-85 -93.38 129.88 39.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 2.6 mt-10 -35.55 134.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.698 HE21 ' NH2' ' A' ' 87' ' ' ARG . 6.8 mt-30 -52.78 -20.1 2.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 1.392 ' HE2' ' CD2' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -88.71 -23.15 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.601 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 ' CG2' ' CE ' ' A' ' 100' ' ' MET . 16.1 mt -91.98 -53.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 87' ' ' ARG . 66.9 t80 -49.78 -20.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -93.07 24.49 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 1.378 ' HZ3' ' CE ' ' A' ' 66' ' ' LYS . . . -155.36 29.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' CD2' ' HE3' ' A' ' 100' ' ' MET . 35.4 mt -114.03 155.27 26.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.11 159.73 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.88 -170.71 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.466 HG12 ' CG ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -144.92 -177.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.223 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 p -110.05 -168.3 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 75' ' ' ASN . 12.3 p-10 -76.65 -40.81 47.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -49.87 -54.44 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' CG ' HG12 ' A' ' 70' ' ' ILE . 11.1 tt0 -64.75 -46.56 81.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 27.4 t30 -40.76 -39.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.06 -50.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.473 ' CE ' HD12 ' A' ' 90' ' ' LEU . 10.2 tmm? -51.51 -32.08 26.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mt -82.95 -25.66 32.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -43.78 98.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 34.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.42 174.37 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER -99.42 136.29 39.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' THR . . . 35.21 54.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' GLY . 9.0 mt -37.6 98.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' GLY . 62.7 p -67.53 173.19 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -87.3 11.62 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.698 ' NH2' HE21 ' A' ' 61' ' ' GLN . 3.0 ptp180 -149.63 24.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -71.4 138.31 49.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 109.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.531 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . 2.2 mmm180 -151.08 178.5 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.546 ' CD2' ' NE2' ' A' ' 93' ' ' GLN . 1.0 OUTLIER -106.2 151.59 24.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' LEU . . . -150.69 46.81 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.421 ' CB ' HD13 ' A' ' 30' ' ' LEU . 12.0 p -111.39 -30.05 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.546 ' NE2' ' CD2' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -120.19 -133.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 93' ' ' GLN . 8.8 pt 46.98 -162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -142.3 142.83 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.351 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.582 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 15.0 mt -59.41 164.99 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.4 p -142.56 154.0 44.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.45 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 1.387 ' HZ3' ' CE ' ' A' ' 98' ' ' LYS . . . -53.52 -33.84 55.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.94 -20.23 36.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 109.356 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.512 ' CE ' ' CG2' ' A' ' 63' ' ' ILE . 34.4 mmt -93.22 25.68 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 12.5 p-10 -70.66 90.68 0.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.6 p-10 91.09 24.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.488 ' CE ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -64.44 155.95 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 m -126.37 143.96 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -141.31 155.17 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -120.47 151.44 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' A' ' 57' ' ' LEU . 92.2 t -112.32 95.94 33.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.442 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' FES . . . . . 1.073 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -174.9 127.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.885 HD11 HD13 ' A' ' 96' ' ' LEU . 5.3 pt -108.07 -179.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 28.1 m -115.4 136.72 52.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.749 HG12 ' CE1' ' A' ' 11' ' ' PHE . 57.9 t -130.91 137.37 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.691 ' CE1' HG23 ' A' ' 20' ' ' THR . 96.7 m-70 -118.61 140.21 50.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.648 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.749 ' CE1' HG12 ' A' ' 9' ' ' VAL . 55.9 m-85 -128.34 117.88 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 17' ' ' GLU . 12.6 mt -86.37 109.24 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -52.87 158.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -12.42 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -29.4 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.28 -0.89 7.07 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -70.79 -170.69 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -152.13 115.28 4.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -97.53 149.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.691 HG23 ' CE1' ' A' ' 10' ' ' HIS . 35.5 m -121.9 120.45 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 9' ' ' VAL . 11.2 t -141.88 131.82 24.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -92.4 125.6 37.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.658 ' HA3' HD12 ' A' ' 96' ' ' LEU . . . -91.39 -122.73 2.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 163.37 101.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.019 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -32.66 98.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 132.38 -16.09 4.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 16.3 p-10 -61.47 -152.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -160.05 119.97 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 43.8 mt -42.01 153.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.844 HD13 ' SG ' ' A' ' 92' ' ' CYS . 10.4 tp 87.7 -52.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.87 -51.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.23 -51.81 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.58 -32.55 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -72.95 -19.72 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -99.06 14.6 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 38' ' ' LEU . 9.9 t30 72.87 20.67 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 35.17 88.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 28.08 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.82 HG21 HG21 ' A' ' 107' ' ' VAL . 19.7 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.74 -47.71 0.96 Allowed 'General case' 0 C--O 1.258 1.515 0 CA-C-O 124.613 2.149 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.5 p -61.46 -1.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.371 -1.455 . . . . 0.0 113.499 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.3 tp10 86.26 -8.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.06 28.91 7.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.6 p -97.0 5.69 49.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 mt 72.78 78.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.11 30.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 54' ' ' THR . 31.9 p -142.54 -46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 108.265 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.434 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 2.7 t 61.97 11.72 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 52' ' ' CYS . 23.1 p -102.09 23.22 11.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.765 ' HG ' ' HG ' ' A' ' 92' ' ' CYS . 10.1 t -103.13 -122.55 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 108.276 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.82 ' C ' HD22 ' A' ' 57' ' ' LEU . 2.4 p80 61.5 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 56' ' ' HIS . 3.5 mm? -141.82 168.51 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 85' ' ' THR . 1.0 OUTLIER -101.68 137.57 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.811 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -105.22 151.38 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB3' ' CG1' ' A' ' 63' ' ' ILE . 5.2 tt0 -64.0 160.28 18.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 27.3 mt-30 -67.97 136.08 53.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 82.4 -6.5 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.755 HD11 ' CE1' ' A' ' 62' ' ' HIS . 19.6 mm -96.92 -49.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.473 ' CE2' ' O ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -55.3 -41.26 72.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.57 -16.32 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.636 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -90.41 -40.68 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.811 HD12 ' CD2' ' A' ' 59' ' ' PHE . 75.2 mt -48.11 148.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.15 166.72 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.92 -177.44 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.758 HD11 ' OE2' ' A' ' 74' ' ' GLU . 1.2 tp -140.01 158.48 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.3 p -81.04 -173.64 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.85 -41.73 35.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -54.49 -56.84 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.758 ' OE2' HD11 ' A' ' 70' ' ' ILE . 8.0 tt0 -62.28 -34.45 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.943 ' HA ' HD23 ' A' ' 78' ' ' LEU . 11.1 t30 -57.07 -37.97 72.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.36 -45.41 80.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 tpp -69.5 -15.46 63.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -88.91 -6.91 56.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.14 -48.93 18.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.9 mm? -44.03 -29.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.578 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -41.84 142.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.1 146.37 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 37.97 45.08 1.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 78' ' ' LEU . 9.1 mt -39.88 107.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 0.814 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.709 HG21 HD13 ' A' ' 58' ' ' ILE . 5.8 p -76.86 -168.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.473 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.7 t0 -90.27 4.34 50.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 3.9 ptp180 -146.09 25.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -106.78 138.77 42.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.858 ' HA ' HD13 ' A' ' 78' ' ' LEU . 6.3 mtp180 -160.11 172.55 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.71 HD22 ' HG3' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -77.29 121.72 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.21 -139.81 10.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.844 ' SG ' HD13 ' A' ' 30' ' ' LEU . 57.5 m 55.5 44.73 26.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.52 -172.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt 43.29 -161.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 m -140.56 155.97 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.885 HD13 HD11 ' A' ' 7' ' ' ILE . 9.9 mt -60.57 152.23 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 1.019 ' HA ' HD12 ' A' ' 25' ' ' ILE . 23.9 p -130.8 166.11 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -60.26 -18.56 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.636 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -84.61 6.68 22.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.626 ' CE ' HG23 ' A' ' 63' ' ' ILE . 24.2 mmt -112.95 11.16 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.7 p-10 -57.48 96.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 t30 81.5 37.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.472 ' O ' ' CG ' ' A' ' 103' ' ' MET . 17.7 ptm -71.24 125.91 28.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 m -99.45 142.12 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.0 m -137.92 163.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.477 ' NH2' HD13 ' A' ' 12' ' ' ILE . 21.5 ttm105 -129.81 150.11 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 40' ' ' ILE . 73.4 t -110.3 98.32 35.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -170.12 136.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.542 HG23 HG23 ' A' ' 25' ' ' ILE . 1.5 pt -111.46 -176.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 m -125.54 112.79 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.775 HG13 ' CG ' ' A' ' 103' ' ' MET . 10.9 t -100.4 143.93 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.561 ' O ' HG22 ' A' ' 105' ' ' VAL . 59.3 m-70 -118.98 138.54 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CD2' ' CG2' ' A' ' 105' ' ' VAL . 45.0 m-85 -127.52 122.99 34.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' VAL . 7.8 mt -91.26 99.72 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -45.46 164.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -72.16 -15.82 61.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -27.99 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.14 1.53 7.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.1 123.96 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 m -88.18 119.93 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 39' ' ' ASP . 6.9 mp -101.02 147.99 25.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 m -121.12 113.65 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -132.77 128.75 37.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -90.4 134.16 34.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 7' ' ' ILE . . . -133.98 135.38 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -76.69 110.28 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.542 HG23 HG23 ' A' ' 7' ' ' ILE . 1.1 pp -36.15 104.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.92 -18.08 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.674 ' OD2' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -85.43 161.49 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.92 129.29 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 96' ' ' LEU . 61.3 mt -47.04 -56.97 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 92' ' ' CYS . 8.9 tp -40.24 -45.76 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.81 -47.37 86.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.674 HG23 ' OD2' ' A' ' 27' ' ' ASP . 57.4 t -53.39 -50.17 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.14 -53.11 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.3 t -57.68 -35.25 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.174 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.25 -21.35 64.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -98.57 15.67 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' LEU . 28.1 t-20 66.71 22.58 10.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER 36.69 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.472 ' HB3' HD21 ' A' ' 19' ' ' LEU . 4.1 t0 -98.64 37.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.563 HG21 HG21 ' A' ' 107' ' ' VAL . 19.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.72 -49.1 2.35 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 124.653 2.168 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.3 p -68.53 3.04 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 120.334 -1.479 . . . . 0.0 113.498 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 5.6 tt0 79.32 -0.85 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.02 26.03 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.5 m -88.89 6.89 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD21 HE22 ' A' ' 93' ' ' GLN . 88.6 mt 68.77 90.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.36 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.217 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -71.12 -45.43 63.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 108.326 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.63 41.04 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.4 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 5.6 p -127.47 -40.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.413 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.7 t -41.38 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 108.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 1.8 p-80 48.71 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 106' ' ' ARG . 0.5 OUTLIER 169.92 169.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 108' ' ' PRO . 3.8 mm -119.78 135.69 59.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.893 ' CD2' HD11 ' A' ' 67' ' ' LEU . 8.6 m-85 -123.74 122.72 38.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' CB ' HD12 ' A' ' 63' ' ' ILE . 3.6 tp10 -38.13 141.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -25.79 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -81.4 -23.61 37.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.559 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' A' ' 60' ' ' GLU . 7.9 mt -94.9 -51.36 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.883 ' HA ' HD12 ' A' ' 67' ' ' LEU . 6.0 t80 -52.17 -39.91 60.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.17 -18.72 61.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -99.48 12.85 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.893 HD11 ' CD2' ' A' ' 59' ' ' PHE . 50.8 mt -96.49 175.53 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -86.59 164.14 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.78 135.28 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.594 HD12 ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -89.29 179.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 70' ' ' ILE . 56.6 p -116.44 179.53 3.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.17 -53.63 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -46.49 -57.75 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.516 ' OE2' HD11 ' A' ' 70' ' ' ILE . 16.7 tt0 -59.98 -44.23 94.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.45 -41.58 20.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.4 tpp -66.04 -25.17 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -82.37 -41.4 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.626 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -44.23 -50.81 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -41.35 -32.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.15 143.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.53 155.2 19.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.26 42.56 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 79' ' ' ASP . 5.3 mt -41.3 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.458 ' CG2' HD12 ' A' ' 58' ' ' ILE . 22.3 p -97.61 178.87 5.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.27 6.03 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -140.12 27.79 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.469 ' OG ' HD22 ' A' ' 84' ' ' LEU . 11.6 p -77.39 160.89 28.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.851 ' HD3' HD13 ' A' ' 67' ' ' LEU . 3.8 ttt-85 175.67 144.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.612 HD22 ' OE1' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -64.44 153.41 38.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.5 ' H ' HD23 ' A' ' 90' ' ' LEU . . . -142.92 50.64 0.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 m -141.19 47.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.612 ' OE1' HD22 ' A' ' 90' ' ' LEU . 1.3 pt20 -176.65 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.8 tp -66.84 152.73 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 11.4 p -108.85 142.31 39.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 29' ' ' LEU . 6.9 mt -52.8 162.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 96' ' ' LEU . 1.1 p -148.2 -167.95 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -83.6 -38.96 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.488 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -56.07 -18.02 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 101' ' ' ASP . 14.1 mmt -78.0 -69.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.668 ' C ' ' O ' ' A' ' 100' ' ' MET . 37.9 p-10 14.43 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 0.8 OUTLIER 82.0 36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.775 ' CG ' HG13 ' A' ' 9' ' ' VAL . 18.1 ptm -80.86 123.09 27.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.5 m -98.74 142.75 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 10' ' ' HIS . 5.1 m -136.85 166.06 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.473 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.4 ttt180 -132.03 150.08 52.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 40' ' ' ILE . 42.9 t -111.37 97.89 37.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.761 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.563 ' CD ' ' O ' ' A' ' 5' ' ' ASP . . . -162.76 141.73 8.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.493 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 100' ' ' MET . 2.5 pt -88.87 170.7 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 99.3 m -109.85 137.46 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.451 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.677 HG12 ' CE1' ' A' ' 11' ' ' PHE . 47.7 t -130.3 144.05 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 35.3 m-70 -123.8 141.59 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.677 ' CE1' HG12 ' A' ' 9' ' ' VAL . 37.7 m-85 -130.13 117.91 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 17' ' ' GLU . 12.9 mt -87.35 108.22 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.43 HD22 HD21 ' A' ' 19' ' ' LEU . 2.2 t-20 -51.33 150.37 3.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -59.91 -14.67 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.81 -29.96 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.49 -0.27 6.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.571 1.169 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 12' ' ' ILE . 4.4 mm-40 -70.62 -171.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -150.88 114.66 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.918 HD23 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -99.16 150.38 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -121.79 126.95 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.9 t -150.03 129.98 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' THR . . . -87.89 135.53 33.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.594 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -94.15 -139.2 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.643 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 176.51 82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.643 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -18.96 95.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 138.23 -11.9 3.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . 6.5 t70 -104.98 150.25 25.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.667 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.66 -171.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 91' ' ' GLY . 2.5 mt -96.72 -48.93 5.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.026 HD22 ' SG ' ' A' ' 92' ' ' CYS . 0.9 OUTLIER -51.01 -48.68 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -54.18 -44.61 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 28' ' ' SER . 78.4 t -58.84 -50.83 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.869 HG22 HD21 ' A' ' 38' ' ' LEU . 3.7 t -55.12 -43.27 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.12 -34.32 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.8 mm-40 -68.89 -32.86 72.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -81.22 -14.45 57.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 29.34 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.979 HD13 HD12 ' A' ' 40' ' ' ILE . 4.2 pp -64.67 158.73 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -113.66 72.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.979 HD12 HD13 ' A' ' 38' ' ' LEU . 22.0 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.483 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.46 -56.05 2.45 Favored 'General case' 0 C--O 1.257 1.485 0 CA-C-O 124.672 2.177 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 12.7 p -68.33 -0.55 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.372 -1.455 . . . . 0.0 113.44 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 2.5 tt0 88.0 -17.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' HA3' ' SG ' ' A' ' 92' ' ' CYS . . . 107.52 26.26 5.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 64.6 p -96.31 15.93 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 15.3 mt 67.28 97.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 179.92 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.41 -160.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -159.88 25.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.6 p -119.35 48.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.45 87.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.488 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -145.64 127.82 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.77 HD12 HG23 ' A' ' 105' ' ' VAL . 2.3 mm? -127.57 133.59 49.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.875 HD13 HG21 ' A' ' 85' ' ' THR . 0.5 OUTLIER -92.45 108.55 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 59.7 m-85 -82.0 -169.73 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -104.82 159.76 15.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.233 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.1 tt0 -67.67 74.29 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER 163.95 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.553 HG23 ' CE ' ' A' ' 100' ' ' MET . 28.4 mm -86.61 -49.33 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -53.48 -40.51 65.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -11.95 61.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . . . -92.58 -22.57 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.585 HD11 ' CZ ' ' A' ' 59' ' ' PHE . 93.1 mt -60.01 161.54 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.56 159.77 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.51 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.35 153.07 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -83.34 179.92 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.03 -46.65 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.34 -58.11 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' OE2' ' OE1' ' A' ' 93' ' ' GLN . 4.4 tt0 -59.15 -42.6 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -46.89 -48.54 21.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.27 -58.01 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.2 -35.63 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.84 -38.73 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.594 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -50.8 -45.32 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.82 -24.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.07 149.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -87.25 146.55 25.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 35.53 49.93 0.99 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -39.29 116.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.875 HG21 HD13 ' A' ' 58' ' ' ILE . 6.9 p -88.71 -169.53 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.478 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.71 3.58 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 7.3 ptp180 -145.96 26.54 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.93 134.24 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 78' ' ' LEU . 1.3 tpp180 -159.41 146.76 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.77 HD23 ' H ' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -39.27 147.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.442 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -104.37 -30.55 4.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 1.026 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -76.33 171.72 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' OE1' ' OE2' ' A' ' 74' ' ' GLU . 3.0 mt-30 72.54 -67.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 pt -59.92 127.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -87.44 160.98 18.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 108.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.594 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 30.0 mt -63.68 165.88 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.633 ' HA ' HD13 ' A' ' 25' ' ' ILE . 34.8 p -150.91 160.31 43.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -56.29 -21.67 25.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.26 -2.1 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.553 ' CE ' HG23 ' A' ' 63' ' ' ILE . 25.0 mmt -108.3 21.79 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -66.02 99.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.9 OUTLIER 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -75.17 152.55 38.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.3 m -116.16 138.9 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.77 HG23 HD12 ' A' ' 57' ' ' LEU . 1.3 m -139.47 157.3 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -123.79 151.18 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 40' ' ' ILE . 24.5 t -106.12 103.75 46.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.488 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -169.88 134.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.571 ' HB ' ' HA ' ' A' ' 101' ' ' ASP . 0.9 OUTLIER -97.73 -178.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.237 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ASN . 61.6 m -119.34 136.57 54.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.691 HG12 ' CE1' ' A' ' 11' ' ' PHE . 89.9 t -130.48 139.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.633 ' CE1' HG23 ' A' ' 20' ' ' THR . 95.7 m-70 -119.22 144.9 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.691 ' CE1' HG12 ' A' ' 9' ' ' VAL . 28.7 m-85 -129.47 131.98 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' VAL . 13.0 mt -100.43 96.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 2.8 t-20 -54.35 144.12 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.52 -22.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.83 -34.79 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.201 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.02 -10.46 7.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 3.5 pt-20 -77.73 150.06 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.437 ' C ' HD13 ' A' ' 19' ' ' LEU . 2.2 m -110.13 125.99 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -98.42 155.42 17.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.633 HG23 ' CE1' ' A' ' 10' ' ' HIS . 19.4 m -123.25 116.52 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 9' ' ' VAL . 5.1 t -130.58 174.38 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -137.66 139.62 40.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -139.49 145.44 16.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -82.48 110.88 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.484 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 1.3 tt -36.26 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 134.53 -7.04 4.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -104.29 147.81 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 0.728 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -69.99 155.31 40.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.043 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 96' ' ' LEU . 10.6 mt -71.74 -44.23 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.02 HD21 ' HA3' ' A' ' 44' ' ' GLY . 7.9 mp -49.03 -47.8 44.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -58.83 -45.87 89.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' SER . 89.9 t -55.86 -56.37 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.635 1.21 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . 21.8 t -52.42 -60.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.5 -42.97 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.5 mm-40 -65.24 -26.76 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.527 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -102.73 7.11 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 43.85 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.853 HD12 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -60.22 127.15 30.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.8 83.69 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.105 HG21 HG21 ' A' ' 107' ' ' VAL . 23.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 1.02 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.45 -49.75 1.4 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-O 124.722 2.201 . . . . 0.0 109.389 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.9 p -67.56 -0.77 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.337 -1.477 . . . . 0.0 113.402 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.4 tp10 85.13 -6.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.251 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.3 25.57 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 31.0 p -94.45 7.18 46.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD21 ' NE2' ' A' ' 93' ' ' GLN . 66.9 mt 72.4 79.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -176.19 31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' SER . 32.1 p -144.84 -45.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 69.56 6.15 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 43.7 p -117.93 63.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.0 p -155.3 32.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 108' ' ' PRO . 17.7 p-80 -96.3 131.86 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.692 HD22 ' CG2' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -122.36 172.7 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.809 HD13 HG21 ' A' ' 85' ' ' THR . 0.7 OUTLIER -119.72 109.48 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.863 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -83.29 130.9 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.1 mt-10 -35.78 152.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 3.1 mt-30 -67.68 79.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER 160.25 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.482 HG21 ' SD ' ' A' ' 100' ' ' MET . 3.4 mt -77.42 -48.97 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 6.3 t80 -57.18 -39.31 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -12.29 31.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 67' ' ' LEU . . . -101.19 -51.63 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.863 HD12 ' CD2' ' A' ' 59' ' ' PHE . 14.8 mt -42.21 163.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.44 -173.22 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.41 -169.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.44 153.21 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -82.95 -175.48 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.4 -57.87 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -43.17 -51.15 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' OE2' ' NE2' ' A' ' 93' ' ' GLN . 41.0 mt-10 -67.28 -35.23 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.32 -31.97 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.63 -58.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.74 -42.88 19.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -42.6 -49.03 5.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -39.99 -30.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.661 ' HB3' ' HG ' ' A' ' 84' ' ' LEU . . . -37.56 136.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.423 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -85.28 151.53 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 36.79 42.11 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.661 ' HG ' ' HB3' ' A' ' 81' ' ' ALA . 4.2 mt -43.41 127.04 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.809 HG21 HD13 ' A' ' 58' ' ' ILE . 5.7 p -101.5 -169.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.51 13.19 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.505 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 1.3 ptp85 -150.58 29.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.462 ' OG ' HG23 ' A' ' 58' ' ' ILE . 58.3 m -113.89 132.97 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 7.7 ttp-105 -168.45 87.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.883 HD12 ' CD ' ' A' ' 93' ' ' GLN . 0.5 OUTLIER 46.57 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.65 -44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.871 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -57.39 -63.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.883 ' CD ' HD12 ' A' ' 90' ' ' LEU . 44.7 mt-30 -31.87 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -40.8 135.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.1 p -106.06 164.88 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 29' ' ' LEU . 2.4 mt -61.06 145.1 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.403 ' C ' HD12 ' A' ' 25' ' ' ILE . 30.3 p -140.74 179.33 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.484 ' HG3' ' CD1' ' A' ' 25' ' ' ILE . . . -77.58 -18.17 57.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.59 6.02 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.693 ' O ' ' C ' ' A' ' 101' ' ' ASP . 5.6 mmt -108.72 -51.91 2.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -5.24 101.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.8 t-20 79.85 32.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -78.16 150.87 33.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.2 m -117.92 133.22 56.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.692 ' CG2' HD22 ' A' ' 57' ' ' LEU . 2.2 m -132.28 155.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -118.18 150.9 38.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 1.105 HG21 HG21 ' A' ' 40' ' ' ILE . 40.9 t -107.23 108.25 61.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.412 1.743 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 6' ' ' LYS . . . -177.42 117.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.852 HD12 ' N ' ' A' ' 101' ' ' ASP . 3.5 pt -110.68 -176.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.806 HG12 ' CE1' ' A' ' 11' ' ' PHE . 60.9 t -130.3 119.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.615 ' CE1' HG23 ' A' ' 20' ' ' THR . 65.7 m-70 -95.86 145.37 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.548 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.806 ' CE1' HG12 ' A' ' 9' ' ' VAL . 13.4 m-85 -129.6 122.05 28.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 104' ' ' THR . 7.6 mt -91.9 97.06 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.726 ' OD1' HG23 ' A' ' 40' ' ' ILE . 3.2 t-20 -55.17 145.25 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.39 -22.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -34.78 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.06 -10.23 8.35 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -79.49 151.99 30.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -104.58 125.32 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.509 HD22 ' CG1' ' A' ' 40' ' ' ILE . 10.4 mp -101.38 153.68 19.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.615 HG23 ' CE1' ' A' ' 10' ' ' HIS . 21.8 m -117.75 135.69 53.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 11' ' ' PHE . 11.5 t -165.35 129.54 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -76.84 148.11 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -105.58 -107.39 3.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.44 92.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -32.81 97.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 129.99 -14.72 5.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 32' ' ' VAL . 48.9 t0 -81.98 156.26 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.75 -84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.024 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' SER . 1.7 mt 168.1 -51.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.838 HD21 ' SG ' ' A' ' 55' ' ' CYS . 3.5 mp -56.3 -44.69 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -53.63 -42.25 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 83.0 t -57.05 -32.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' CE2' ' A' ' 11' ' ' PHE . 22.1 t -77.5 -36.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -53.34 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.69 -11.42 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -93.75 -5.84 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 31.8 t30 84.11 20.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 36.95 75.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -98.25 37.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.058 HG21 HG21 ' A' ' 107' ' ' VAL . 84.2 mt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.55 -47.22 0.04 OUTLIER 'General case' 0 C--O 1.258 1.536 0 CA-C-O 124.679 2.181 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.7 p -67.6 0.18 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.339 -1.475 . . . . 0.0 113.445 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 15.1 tt0 88.3 -18.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' SG ' ' A' ' 92' ' ' CYS . . . 104.11 75.5 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 p -145.83 11.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD13 ' HG2' ' A' ' 73' ' ' GLU . 35.1 mt 69.08 79.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.82 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.412 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 24.9 p -69.02 -45.69 69.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t 60.02 59.08 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.4 p -146.34 -45.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.838 ' SG ' HD21 ' A' ' 30' ' ' LEU . 3.0 t -50.23 124.59 10.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.775 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -164.93 138.02 4.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.626 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 56' ' ' HIS . 3.5 mm? -135.59 144.61 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.808 HD11 ' HG3' ' A' ' 108' ' ' PRO . 3.6 mm -98.8 109.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.968 ' CD2' HD11 ' A' ' 67' ' ' LEU . 30.2 m-85 -91.38 131.8 36.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.2 mt-10 -32.61 143.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' CA ' ' HD3' ' A' ' 87' ' ' ARG . 4.0 pt20 -56.09 -15.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -99.16 -38.7 8.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 33.3 mm -71.76 -46.41 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.795 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.9 t80 -49.63 -35.96 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.93 -18.33 59.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -88.82 -4.74 58.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.968 HD11 ' CD2' ' A' ' 59' ' ' PHE . 54.5 mt -83.0 172.32 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 89' ' ' ARG . 3.9 mm-40 -92.71 169.31 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.215 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.87 175.45 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.538 HD13 HH21 ' A' ' 89' ' ' ARG . 1.6 tp -147.43 164.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 70' ' ' ILE . 23.7 p -75.95 -177.46 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.13 -34.25 29.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG2' HD13 ' A' ' 50' ' ' LEU . 14.3 tt0 -51.37 -52.63 44.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -41.92 85.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -48.39 -31.59 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.5 -41.48 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.2 tpp -65.61 -23.05 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -94.14 -15.64 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.829 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -62.64 -52.13 64.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -47.54 -28.81 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -40.26 153.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.93 148.27 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.38 49.83 2.29 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.155 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.829 HD11 ' HA ' ' A' ' 79' ' ' ASP . 5.4 mt -41.33 116.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.417 ' CG2' HD12 ' A' ' 58' ' ' ILE . 3.4 p -89.43 163.54 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.449 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.51 -18.03 62.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.446 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -121.85 31.0 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 t -84.46 170.11 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.068 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.644 ' HD2' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -175.3 154.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.88 -113.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.12 -52.3 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.642 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.08 72.45 10.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' CYS . 1.5 mt-30 166.77 51.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -174.1 123.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.25 143.72 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 12.1 mt -69.36 163.51 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.808 ' HA ' HD12 ' A' ' 25' ' ' ILE . 21.8 p -149.71 -179.37 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -74.31 -27.38 60.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.92 -4.79 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.624 ' O ' ' C ' ' A' ' 101' ' ' ASP . 16.3 mmt -100.75 -53.71 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.852 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.3 t70 -19.88 108.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.599 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 13.4 t-20 90.14 20.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -80.37 148.96 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 12' ' ' ILE . 2.6 m -116.13 133.19 56.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -129.9 159.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 43.5 ttt180 -120.26 150.91 39.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 1.058 HG21 HG21 ' A' ' 40' ' ' ILE . 59.0 t -111.12 97.65 35.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.808 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 6' ' ' LYS . . . -173.86 136.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 pt -108.48 -178.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 26.5 m -117.55 135.82 53.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.717 HG12 ' CE1' ' A' ' 11' ' ' PHE . 32.0 t -130.89 137.59 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.504 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.8 m-70 -113.47 143.49 44.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.717 ' CE1' HG12 ' A' ' 9' ' ' VAL . 34.4 m-85 -133.88 124.46 26.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' A' ' 106' ' ' ARG . 8.3 mt -92.45 100.89 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.2 t-20 -56.37 140.35 45.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -46.67 -26.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -36.3 82.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' ASN . . . 128.61 -13.29 6.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 8.2 pt-20 -76.66 157.78 31.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.752 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -113.38 127.15 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -99.88 145.92 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.504 HG23 ' CE1' ' A' ' 10' ' ' HIS . 17.4 m -119.1 112.84 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -129.2 167.58 17.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -129.19 127.97 42.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.622 ' HA3' HD12 ' A' ' 96' ' ' LEU . . . -122.9 148.35 16.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -94.82 109.08 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 98' ' ' LYS . 1.2 tt -34.59 99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 135.74 -12.42 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -94.53 134.79 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.1 m -53.97 100.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.43 -24.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -66.2 -34.06 77.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' SER . 6.2 m-20 -81.27 -35.39 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 29' ' ' LEU . 42.2 t -39.45 -47.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 t -68.8 -46.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' ASP . 57.2 t -55.53 -45.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.0 -32.19 73.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.73 -23.97 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t30 64.71 45.54 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.484 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -94.03 157.75 15.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 80.35 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.789 ' CG2' HG21 ' A' ' 107' ' ' VAL . 18.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.07 -56.57 8.4 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-O 124.684 2.183 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 20.3 p -70.6 2.03 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 120.271 -1.518 . . . . 0.0 113.452 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 4.4 tt0 84.18 -12.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 93' ' ' GLN . . . 104.79 33.05 3.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -100.57 -0.26 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.446 0.733 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.514 HD13 ' HG2' ' A' ' 73' ' ' GLU . 20.0 mt 81.66 77.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.84 18.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.13 -22.84 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB2' ' CE ' ' A' ' 77' ' ' MET . 4.8 t 46.98 29.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -142.38 84.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.33 48.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.631 ' CE1' ' HA ' ' A' ' 81' ' ' ALA . 2.3 p-80 -110.67 151.36 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -146.22 168.37 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.728 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.4 mm -105.49 108.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.732 ' CD2' HD11 ' A' ' 67' ' ' LEU . 61.1 m-85 -97.02 126.9 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.761 ' CB ' HD12 ' A' ' 63' ' ' ILE . 3.3 tt0 -36.13 146.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -57.82 -19.57 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -16.34 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.761 HD12 ' CB ' ' A' ' 60' ' ' GLU . 12.2 mt -98.93 -51.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.626 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.8 t80 -49.88 -40.44 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -17.63 60.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.675 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -89.9 -14.53 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.732 HD11 ' CD2' ' A' ' 59' ' ' PHE . 72.6 mt -77.5 163.34 26.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -71.47 159.84 33.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.394 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 170.6 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.432 HG12 ' CB ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -125.56 175.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -121.03 179.79 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.456 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.54 -56.37 22.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG2' HD13 ' A' ' 50' ' ' LEU . 14.4 tt0 -45.11 -55.84 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.507 ' OE1' HD23 ' A' ' 90' ' ' LEU . 18.9 mt-10 -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -58.41 -29.78 66.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.25 -52.76 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 53' ' ' SER . 0.4 OUTLIER -65.92 -8.39 22.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -107.45 -35.6 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.602 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.46 -44.71 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.63 -21.37 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HA ' ' CE1' ' A' ' 56' ' ' HIS . . . -41.08 156.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.79 125.33 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.01 -47.13 3.63 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER 45.51 78.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.713 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.505 ' CG2' HD12 ' A' ' 58' ' ' ILE . 27.8 p -63.13 -173.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.9 12.42 13.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.4 27.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.481 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -101.54 154.19 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.541 ' HD2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.86 154.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.777 HD21 ' SG ' ' A' ' 92' ' ' CYS . 41.5 tp -46.2 146.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.475 ' O ' HD21 ' A' ' 29' ' ' LEU . . . -131.32 47.84 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.777 ' SG ' HD21 ' A' ' 90' ' ' LEU . 7.3 p -131.07 -175.89 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 92' ' ' CYS . 10.8 pt20 31.06 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.228 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 8.6 mm -138.61 154.17 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.34 134.76 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.632 HD11 HG21 ' A' ' 9' ' ' VAL . 9.7 mt -44.42 159.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.492 ' C ' HD12 ' A' ' 25' ' ' ILE . 39.9 p -134.36 -173.48 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -87.87 7.24 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.675 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -110.76 2.9 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.632 ' CE ' HG23 ' A' ' 63' ' ' ILE . 31.3 mmt -106.44 0.86 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -48.69 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.6 t-20 64.66 44.55 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.624 ' HG3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -85.62 153.15 22.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -119.05 139.36 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 10' ' ' HIS . 3.4 m -137.7 153.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 42.2 ttt85 -120.42 149.44 42.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.789 HG21 ' CG2' ' A' ' 40' ' ' ILE . 8.9 t -111.4 99.17 43.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.728 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -174.94 150.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.848 HD11 HD13 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -122.85 165.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 53.5 m -109.85 118.35 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.604 HG13 ' HE3' ' A' ' 103' ' ' MET . 23.1 t -109.97 137.97 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.722 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.2 m-70 -121.57 144.23 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.684 ' O ' HD22 ' A' ' 19' ' ' LEU . 56.4 m-85 -130.82 126.36 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.082 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 mt -90.4 101.04 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -58.31 146.04 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -49.9 -28.64 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -30.03 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.32 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' ASN . 8.5 pt-20 -75.55 156.42 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.4 m -113.54 128.59 56.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -95.28 157.16 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.722 HG23 ' CE1' ' A' ' 10' ' ' HIS . 28.7 m -126.51 117.93 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -146.38 124.94 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' THR . . . -81.62 138.22 35.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.675 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -100.0 -134.87 8.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.675 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 177.05 83.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.675 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -14.51 109.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.27 -12.75 31.11 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 28' ' ' SER . 56.1 t0 -82.88 156.11 23.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.468 ' C ' ' N ' ' A' ' 30' ' ' LEU . 42.1 m -80.52 90.66 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.934 HD21 ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -38.19 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.924 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -64.1 -56.73 12.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.2 m-20 -56.82 -44.13 81.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' OD2' ' A' ' 27' ' ' ASP . 34.0 t -39.94 -52.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.1 t -47.37 -65.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.93 -40.56 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -101.65 -1.32 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 64.33 28.23 13.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -72.05 128.83 36.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 83.03 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.947 ' CG2' HG11 ' A' ' 107' ' ' VAL . 26.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.787 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 52' ' ' CYS . . . -92.57 -29.67 16.05 Favored 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.626 2.155 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 17.0 p -94.01 6.86 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 120.378 -1.451 . . . . 0.0 113.541 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 73.73 4.28 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 92' ' ' CYS . . . 87.54 28.94 23.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 37.1 p -95.97 9.22 41.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' THR . 94.9 mt 70.53 89.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . -166.71 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.539 ' O ' ' CB ' ' A' ' 53' ' ' SER . 9.8 p -69.23 -47.37 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 0.0 108.263 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 88.28 -17.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 56' ' ' HIS . 2.3 p -88.06 -109.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.2 p 44.32 28.79 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -71.77 162.17 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 105' ' ' VAL . 7.5 tp -168.61 159.27 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.552 HD12 ' CG2' ' A' ' 85' ' ' THR . 1.5 mm -116.54 115.93 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.653 ' CE2' HD21 ' A' ' 67' ' ' LEU . 6.2 m-85 -91.56 129.36 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PHE . 12.1 mt-10 -33.61 146.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.2 pm0 -64.93 73.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 168.94 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.81 HG21 ' SD ' ' A' ' 100' ' ' MET . 9.3 mm -81.35 -43.1 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 11.5 t80 -53.06 -40.96 64.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.38 -2.84 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . . . -100.72 -34.21 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.653 HD21 ' CE2' ' A' ' 59' ' ' PHE . 31.1 mt -43.51 158.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.77 138.09 55.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.06 134.61 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.405 HD11 ' N ' ' A' ' 75' ' ' ASN . 5.0 tt -84.94 118.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -53.69 -51.01 64.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' THR . 0.8 OUTLIER 153.26 -51.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 4.1 tt0 -51.28 -46.91 62.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.41 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' N ' HD11 ' A' ' 70' ' ' ILE . 8.6 t30 -67.34 -32.71 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.09 -41.16 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 tpt -71.89 -17.96 62.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.657 ' HG ' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -84.69 -34.8 22.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.687 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -42.42 -47.61 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -44.49 -39.18 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -38.71 140.75 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.73 136.95 32.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.32 -48.03 3.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 79' ' ' ASP . 6.8 mt 45.42 81.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.552 ' CG2' HD12 ' A' ' 58' ' ' ILE . 74.4 p -64.55 -170.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.64 16.37 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 9.1 ptp180 -150.0 25.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 85' ' ' THR . 6.6 m -78.04 158.82 29.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.607 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.7 OUTLIER 178.91 136.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 93' ' ' GLN . 2.1 tp -39.5 150.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.934 ' O ' HD21 ' A' ' 29' ' ' LEU . . . -89.11 -43.72 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.876 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.6 -163.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.592 ' HB2' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER 73.26 -63.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.94 153.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.58 153.89 23.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.848 HD13 HD11 ' A' ' 7' ' ' ILE . 17.6 mt -51.39 170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.529 ' HA ' HD13 ' A' ' 25' ' ' ILE . 29.0 p -145.7 174.58 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -78.4 -13.56 59.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.39 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.81 ' SD ' HG21 ' A' ' 63' ' ' ILE . 3.8 mmt -112.49 6.14 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.532 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 9.6 t0 -58.77 99.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' THR . 5.4 t-20 81.63 34.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.604 ' HE3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 150.25 35.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -118.13 132.83 56.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 57' ' ' LEU . 2.8 m -134.71 150.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -112.62 151.13 30.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.947 HG11 ' CG2' ' A' ' 40' ' ' ILE . 44.6 t -105.85 105.92 54.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -175.88 125.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 2.6 pt -123.91 172.9 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 m -102.99 127.34 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.927 HG12 ' CE1' ' A' ' 11' ' ' PHE . 60.5 t -130.02 123.68 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.568 ' O ' HG22 ' A' ' 105' ' ' VAL . 98.6 m-70 -99.62 144.21 28.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.927 ' CE1' HG12 ' A' ' 9' ' ' VAL . 43.8 m-85 -134.07 118.7 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' ' 106' ' ' ARG . 8.1 mt -87.09 104.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' GLU . 1.4 t30 -56.25 166.86 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -69.89 -19.12 63.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -26.24 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.73 -9.94 12.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ASN . 5.4 pt-20 -77.11 148.95 35.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 0.813 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -104.11 125.5 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 40' ' ' ILE . 6.1 mp -97.27 150.52 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.503 HG23 ' CE1' ' A' ' 10' ' ' HIS . 76.0 m -125.71 125.65 43.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 32' ' ' VAL . 6.9 t -152.25 143.36 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.446 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -71.95 -178.52 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' ILE . . . -142.42 -137.53 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.669 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 171.47 69.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.799 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -13.96 90.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 136.21 -19.06 3.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -84.84 146.08 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.5 m -67.65 162.98 22.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.32 -41.8 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -59.9 -24.67 64.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.54 -50.69 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 28' ' ' SER . 73.4 t -48.9 -31.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.0 -49.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.7 t -60.08 -30.78 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -83.06 -16.06 48.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 26.5 t-20 -93.13 11.5 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 14.8 t-20 82.29 18.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER 33.15 86.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.717 HG21 HG21 ' A' ' 107' ' ' VAL . 81.2 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.95 -28.56 12.32 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 124.673 2.178 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.1 p -91.72 1.13 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.332 -1.48 . . . . 0.0 113.486 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 0.7 OUTLIER 83.27 -6.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.051 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.78 9.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.0 p -97.48 10.1 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt 70.0 80.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.31 31.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 53' ' ' SER . 30.6 p -145.01 -46.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 73.02 1.11 3.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -113.59 71.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 7.0 p -161.64 32.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -88.53 155.57 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.84 HD21 HG22 ' A' ' 107' ' ' VAL . 17.9 mt -152.98 150.68 29.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.718 HG23 ' OG1' ' A' ' 85' ' ' THR . 2.2 mm -97.54 109.2 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 67' ' ' LEU . 51.6 m-85 -99.91 126.71 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' CB ' HG13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -38.18 145.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.52 -20.98 14.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -19.25 27.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' A' ' 103' ' ' MET . 3.2 mt -97.68 -51.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 67' ' ' LEU . 23.2 t80 -53.33 -38.74 63.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.73 -17.57 64.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.692 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -94.62 -30.82 14.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.831 HD11 ' CD2' ' A' ' 59' ' ' PHE . 70.6 mt -57.63 160.98 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 54.1 mm-40 -73.14 158.48 35.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.4 169.34 14.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.426 HD11 ' HG2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -118.47 160.45 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 p -101.51 179.41 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.77 -58.9 5.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -46.54 -53.36 11.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' A' ' 90' ' ' LEU . 6.4 tt0 -62.01 -39.69 93.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -52.89 -41.9 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.01 -46.91 85.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.43 -27.46 69.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -77.67 -42.1 35.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.471 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -42.22 -51.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -39.38 -35.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -44.11 134.25 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -84.89 155.16 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 36.13 40.28 0.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 81' ' ' ALA . 7.2 mt -38.73 117.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.718 ' OG1' HG23 ' A' ' 58' ' ' ILE . 23.7 p -87.47 156.51 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -55.35 -28.01 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 2.5 ptp180 -110.94 40.42 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.524 ' OG ' HD23 ' A' ' 84' ' ' LEU . 11.2 t -104.45 164.97 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' A' ' 78' ' ' LEU . 39.1 ttm180 173.47 135.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 74' ' ' GLU . 3.4 tp -46.13 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 92' ' ' CYS . . . 117.85 -119.06 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.6 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.7 p 49.66 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' A' ' 92' ' ' CYS . 11.5 pt20 30.57 41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -123.58 -170.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 94' ' ' ILE . 2.2 p -145.54 141.0 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 7' ' ' ILE . 14.1 mt -63.74 171.3 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.697 ' HA ' HD12 ' A' ' 25' ' ' ILE . 34.6 p -156.9 178.81 9.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.489 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -72.42 -23.65 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.692 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -75.15 -3.97 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.396 1.06 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.608 ' HE1' HG23 ' A' ' 63' ' ' ILE . 27.5 mmt -110.92 15.21 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.627 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 24.2 p-10 -71.13 89.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.5 p-10 92.87 31.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.617 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -77.89 150.96 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 111.08 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.7 m -119.17 137.48 53.59 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 57' ' ' LEU . 5.5 m -132.47 158.06 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.654 ' O ' HD23 ' A' ' 57' ' ' LEU . 66.9 ttt180 -126.1 147.93 49.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.84 HG22 HD21 ' A' ' 57' ' ' LEU . 38.8 t -105.66 104.07 46.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.643 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.553 1.818 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 6' ' ' LYS . . . -177.97 114.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 100' ' ' MET . 5.2 pt -109.77 -176.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 55.5 m -112.19 131.92 55.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 96' ' ' LEU . 40.7 t -129.98 138.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.703 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.5 m-70 -116.33 143.97 44.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.545 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' CE1' HG12 ' A' ' 9' ' ' VAL . 29.6 m-85 -132.28 122.5 25.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' VAL . 12.6 mt -89.73 100.15 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -45.53 169.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HG2' HG12 ' A' ' 107' ' ' VAL . 49.5 mtp180 -71.51 -23.63 61.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -28.13 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.66 2.69 8.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.65 124.67 28.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 m -86.23 118.65 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 6.6 mp -99.56 148.87 23.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.703 HG23 ' CE1' ' A' ' 10' ' ' HIS . 31.6 m -120.47 131.27 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.467 HG21 HG12 ' A' ' 32' ' ' VAL . 5.2 t -158.31 136.9 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.372 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -80.34 149.09 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.614 ' CA ' HD13 ' A' ' 96' ' ' LEU . . . -126.41 139.77 11.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -93.25 89.5 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -24.06 97.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 128.48 -29.73 3.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.39 157.64 36.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -74.98 97.95 3.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -45.26 -26.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.839 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.72 -43.39 93.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' SER . 89.5 m-20 -71.47 -39.52 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.49 HG21 HD11 ' A' ' 96' ' ' LEU . 55.4 t -38.97 -35.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 38' ' ' LEU . 71.1 t -62.22 -73.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.35 -42.18 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -45.96 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.565 ' HB3' HD13 ' A' ' 38' ' ' LEU . 2.1 t-20 -93.35 24.04 4.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.54 33.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HB3' HG13 ' A' ' 33' ' ' VAL . 1.1 mp -43.48 151.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.76 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.568 HD12 HD23 ' A' ' 38' ' ' LEU . 15.6 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 44' ' ' GLY . . . 163.59 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.258 1.533 0 CA-C-O 124.616 2.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' HG ' ' H ' ' A' ' 52' ' ' CYS . 11.7 p -91.95 11.09 26.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.34 -1.475 . . . . 0.0 113.449 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 69.91 5.24 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 92' ' ' CYS . . . 83.44 92.21 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 49' ' ' THR . 1.3 m -168.86 23.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 77' ' ' MET . 28.9 mt 58.07 84.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.78 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.443 ' H ' ' HG ' ' A' ' 46' ' ' CYS . 18.9 p -74.49 -46.87 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 54' ' ' THR . 32.2 t 63.41 63.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -157.61 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.712 ' HG ' ' N ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -62.81 130.91 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.632 ' C ' HD22 ' A' ' 57' ' ' LEU . 11.8 t-80 -170.96 140.37 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.762 HD11 HG22 ' A' ' 107' ' ' VAL . 3.2 mm? -136.44 142.13 43.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.8 mm -94.92 115.62 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CG ' HD11 ' A' ' 67' ' ' LEU . 51.4 m-85 -85.85 122.9 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' PHE . 34.5 mt-10 -34.09 149.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 6.9 pt20 -65.65 75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER 172.14 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.798 HG21 ' SD ' ' A' ' 100' ' ' MET . 17.7 mm -83.49 -44.44 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' HA ' HD12 ' A' ' 67' ' ' LEU . 5.3 t80 -52.65 -31.97 39.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 6.4 pt-20 -78.08 -4.3 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ILE . . . -104.57 -23.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.695 HD11 ' CG ' ' A' ' 59' ' ' PHE . 36.3 mt -62.48 157.05 21.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.16 159.35 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.95 127.98 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.785 HD11 ' OE2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -78.97 160.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.0 p -102.02 179.52 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -60.1 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' A' ' 50' ' ' LEU . 12.7 tt0 -44.96 -51.3 9.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.785 ' OE2' HD11 ' A' ' 70' ' ' ILE . 54.6 tt0 -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ASP . 63.3 t30 -52.01 -40.69 61.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.37 -51.5 69.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.524 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 8.1 tpp -62.3 -14.95 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -100.19 -25.77 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.511 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -69.68 -54.78 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.4 mp -57.18 -20.26 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -40.36 156.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 121.85 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.01 3.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.516 HD23 ' OG ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 41.33 82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.729 ' OG1' HG23 ' A' ' 58' ' ' ILE . 40.4 p -67.5 178.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -78.79 -10.34 59.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.681 ' CG ' HG22 ' A' ' 58' ' ' ILE . 5.5 ptp180 -125.83 17.22 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.516 ' OG ' HD23 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -74.74 129.16 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' NH1' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.42 53.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HA ' ' CG ' ' A' ' 56' ' ' HIS . 3.3 tt 38.84 -108.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.483 ' O ' HD21 ' A' ' 29' ' ' LEU . . . 127.1 51.02 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.096 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.526 ' CB ' HD13 ' A' ' 30' ' ' LEU . 5.8 p -135.96 11.97 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -135.74 8.71 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 30.5 mm -122.76 143.86 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' HG23 ' A' ' 97' ' ' THR . 10.5 p -106.46 141.82 37.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.328 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -41.34 158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 95' ' ' CYS . 33.5 p -144.2 176.57 9.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.671 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -75.35 -27.19 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.12 -4.94 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.798 ' SD ' HG21 ' A' ' 63' ' ' ILE . 4.4 mmt -100.73 12.58 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.83 100.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.0 OUTLIER 74.18 41.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.427 ' CG ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -80.91 155.05 26.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 m -121.24 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.722 HG23 HD12 ' A' ' 57' ' ' LEU . 2.5 m -134.44 164.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 ttt-85 -124.24 150.12 45.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.762 HG22 HD11 ' A' ' 57' ' ' LEU . 47.2 t -106.22 103.89 47.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.826 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -178.16 135.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 100' ' ' MET . 4.0 pt -104.45 178.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 26.8 m -112.45 132.74 54.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.699 HG12 ' CE1' ' A' ' 11' ' ' PHE . 41.6 t -127.29 136.25 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -110.58 138.89 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CE1' HG12 ' A' ' 9' ' ' VAL . 41.1 m-85 -129.36 121.69 27.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.4 mt -92.08 106.22 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.14 150.15 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -55.36 -22.76 20.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -35.39 80.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.15 -15.01 5.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.71 165.27 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -122.13 122.84 40.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 145.32 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -116.24 113.9 23.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -129.33 172.29 11.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -130.51 133.3 46.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -98.39 -145.65 19.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.676 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -176.26 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -13.0 92.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 142.25 -21.73 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 24' ' ' LYS . 9.8 t70 -96.07 151.25 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.862 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.1 t -69.4 177.73 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 96' ' ' LEU . 10.7 mt -99.11 -39.48 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 92' ' ' CYS . 3.1 tp -59.77 -28.82 67.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.05 -42.2 26.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 28' ' ' SER . 96.8 t -51.88 -33.08 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.7 -51.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.1 t -57.78 -27.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -83.91 -15.29 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -97.7 16.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.7 t30 77.97 12.23 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 36.4 76.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.96 31.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.596 HD13 HG21 ' A' ' 107' ' ' VAL . 31.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 52' ' ' CYS . . . -100.22 -28.83 12.8 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 124.683 2.183 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.481 ' HG ' ' HG ' ' A' ' 52' ' ' CYS . 9.6 p -91.85 3.99 53.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.271 -1.518 . . . . 0.0 113.498 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 76.8 3.19 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.24 91.29 1.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.446 HG22 ' SG ' ' A' ' 46' ' ' CYS . 13.5 t -169.69 25.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 74' ' ' GLU . 24.1 mt 53.73 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.87 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 21.0 p -75.63 -47.57 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.373 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 p 69.35 6.18 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.8 p -111.27 30.58 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 5.7 p -122.5 18.14 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.2 OUTLIER -59.46 161.08 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' C ' HD13 ' A' ' 58' ' ' ILE . 92.9 mt -152.68 158.4 42.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.87 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.4 mm -112.66 107.63 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 47.0 m-85 -93.38 129.88 39.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 2.6 mt-10 -35.55 134.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 87' ' ' ARG . 1.7 mt-30 -52.78 -20.1 2.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.71 -23.15 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.611 HG23 ' CE ' ' A' ' 100' ' ' MET . 16.1 mt -91.98 -53.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.811 ' HA ' HD12 ' A' ' 67' ' ' LEU . 66.9 t80 -49.78 -20.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -93.07 24.49 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.777 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . . . -155.36 29.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 64' ' ' PHE . 35.4 mt -114.03 155.27 26.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.11 159.73 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.88 -170.71 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -144.92 -177.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.223 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.586 ' N ' HG23 ' A' ' 70' ' ' ILE . 1.5 p -110.05 -168.3 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 75' ' ' ASN . 12.3 p-10 -76.65 -40.81 47.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -49.87 -54.44 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' HD13 ' A' ' 50' ' ' LEU . 11.1 tt0 -64.75 -46.56 81.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 27.4 t30 -40.76 -39.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.06 -50.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.529 ' HE2' HD13 ' A' ' 90' ' ' LEU . 10.2 tmm? -51.51 -32.08 26.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.62 ' O ' HD11 ' A' ' 84' ' ' LEU . 5.4 mt -82.95 -25.66 32.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -43.78 98.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 34.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -97.42 174.37 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER -99.42 136.29 39.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' THR . . . 35.21 54.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' ' 78' ' ' LEU . 9.0 mt -37.6 98.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.511 HG21 HD12 ' A' ' 58' ' ' ILE . 62.7 p -67.53 173.19 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -87.3 11.62 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 3.0 ptp180 -149.63 24.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -71.4 138.31 49.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 109.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.53 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . 2.2 mmm180 -151.08 178.5 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.762 HD21 ' SG ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -106.2 151.59 24.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' LEU . . . -150.69 46.81 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.762 ' SG ' HD21 ' A' ' 90' ' ' LEU . 12.0 p -111.39 -30.05 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.583 ' NE2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -120.19 -133.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 93' ' ' GLN . 8.8 pt 46.98 -162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -142.3 142.83 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.351 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 29' ' ' LEU . 15.0 mt -59.41 164.99 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.881 ' HA ' HD12 ' A' ' 25' ' ' ILE . 29.4 p -142.56 154.0 44.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.45 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -53.52 -33.84 55.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.777 ' HB1' ' HD2' ' A' ' 66' ' ' LYS . . . -57.94 -20.23 36.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.865 ' O ' HD12 ' A' ' 7' ' ' ILE . 34.4 mmt -93.22 25.68 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 12.5 p-10 -70.66 90.68 0.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.6 p-10 91.09 24.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -64.44 155.95 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 m -126.37 143.96 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -141.31 155.17 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.543 ' HB2' HD12 ' A' ' 12' ' ' ILE . 37.4 ttt-85 -120.47 151.44 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 40' ' ' ILE . 92.2 t -112.32 95.94 33.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.87 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.25 -72.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p 174.76 176.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -179.83 132.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -157.85 142.18 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -174.9 127.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.885 HD11 HD13 ' A' ' 96' ' ' LEU . 5.3 pt -108.07 -179.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 28.1 m -115.4 136.72 52.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.749 HG12 ' CE1' ' A' ' 11' ' ' PHE . 57.9 t -130.91 137.37 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.691 ' CE1' HG23 ' A' ' 20' ' ' THR . 96.7 m-70 -118.61 140.21 50.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.648 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.749 ' CE1' HG12 ' A' ' 9' ' ' VAL . 55.9 m-85 -128.34 117.88 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 17' ' ' GLU . 12.6 mt -86.37 109.24 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -52.87 158.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -12.42 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -29.4 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.28 -0.89 7.07 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -70.79 -170.69 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -152.13 115.28 4.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -97.53 149.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.691 HG23 ' CE1' ' A' ' 10' ' ' HIS . 35.5 m -121.9 120.45 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 9' ' ' VAL . 11.2 t -141.88 131.82 24.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -92.4 125.6 37.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.658 ' HA3' HD12 ' A' ' 96' ' ' LEU . . . -91.39 -122.73 2.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 163.37 101.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.019 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -32.66 98.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 132.38 -16.09 4.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 16.3 p-10 -61.47 -152.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -160.05 119.97 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 43.8 mt -42.01 153.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.844 HD13 ' SG ' ' A' ' 92' ' ' CYS . 10.4 tp 87.7 -52.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.87 -51.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.23 -51.81 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.58 -32.55 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -72.95 -19.72 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -99.06 14.6 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 38' ' ' LEU . 9.9 t30 72.87 20.67 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 35.17 88.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 28.08 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.82 HG21 HG21 ' A' ' 107' ' ' VAL . 19.7 mt -133.64 58.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.8 m-20 -38.86 104.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' THR . . . 143.99 -27.36 2.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.73 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.18 157.62 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.74 -47.71 0.96 Allowed 'General case' 0 C--O 1.258 1.515 0 CA-C-O 124.613 2.149 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.5 p -61.46 -1.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.371 -1.455 . . . . 0.0 113.499 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.3 tp10 86.26 -8.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.632 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 99.06 28.91 7.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.6 p -97.0 5.69 49.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 mt 72.78 78.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.11 30.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.007 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 31.9 p -142.54 -46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 108.265 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.434 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 2.7 t 61.97 11.72 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 52' ' ' CYS . 23.1 p -102.09 23.22 11.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.765 ' HG ' ' HG ' ' A' ' 92' ' ' CYS . 10.1 t -103.13 -122.55 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 108.276 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.82 ' C ' HD22 ' A' ' 57' ' ' LEU . 2.4 p80 61.5 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 56' ' ' HIS . 3.5 mm? -141.82 168.51 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 85' ' ' THR . 1.0 OUTLIER -101.68 137.57 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.811 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -105.22 151.38 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB3' ' CG1' ' A' ' 63' ' ' ILE . 5.2 tt0 -64.0 160.28 18.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 27.3 mt-30 -67.97 136.08 53.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 82.4 -6.5 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.755 HD11 ' CE1' ' A' ' 62' ' ' HIS . 19.6 mm -96.92 -49.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.473 ' CE2' ' O ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -55.3 -41.26 72.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.57 -16.32 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.636 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -90.41 -40.68 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.811 HD12 ' CD2' ' A' ' 59' ' ' PHE . 75.2 mt -48.11 148.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.15 166.72 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.92 -177.44 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.758 HD11 ' OE2' ' A' ' 74' ' ' GLU . 1.2 tp -140.01 158.48 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.3 p -81.04 -173.64 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.85 -41.73 35.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -54.49 -56.84 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.758 ' OE2' HD11 ' A' ' 70' ' ' ILE . 8.0 tt0 -62.28 -34.45 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.943 ' HA ' HD23 ' A' ' 78' ' ' LEU . 11.1 t30 -57.07 -37.97 72.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.36 -45.41 80.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 tpp -69.5 -15.46 63.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -88.91 -6.91 56.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.14 -48.93 18.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.9 mm? -44.03 -29.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.578 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -41.84 142.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.1 146.37 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 37.97 45.08 1.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 78' ' ' LEU . 9.1 mt -39.88 107.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 0.814 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.709 HG21 HD13 ' A' ' 58' ' ' ILE . 5.8 p -76.86 -168.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.473 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.7 t0 -90.27 4.34 50.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 3.9 ptp180 -146.09 25.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -106.78 138.77 42.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.858 ' HA ' HD13 ' A' ' 78' ' ' LEU . 6.3 mtp180 -160.11 172.55 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.71 HD22 ' HG3' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -77.29 121.72 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.21 -139.81 10.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.844 ' SG ' HD13 ' A' ' 30' ' ' LEU . 57.5 m 55.5 44.73 26.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.52 -172.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt 43.29 -161.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 m -140.56 155.97 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.885 HD13 HD11 ' A' ' 7' ' ' ILE . 9.9 mt -60.57 152.23 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 1.019 ' HA ' HD12 ' A' ' 25' ' ' ILE . 23.9 p -130.8 166.11 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -60.26 -18.56 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.636 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -84.61 6.68 22.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.626 ' CE ' HG23 ' A' ' 63' ' ' ILE . 24.2 mmt -112.95 11.16 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.7 p-10 -57.48 96.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 t30 81.5 37.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.472 ' O ' ' CG ' ' A' ' 103' ' ' MET . 17.7 ptm -71.24 125.91 28.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 m -99.45 142.12 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.0 m -137.92 163.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.477 ' NH2' HD13 ' A' ' 12' ' ' ILE . 21.5 ttm105 -129.81 150.11 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 40' ' ' ILE . 73.4 t -110.3 98.32 35.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 146' ' ' FES . . . . . 1.007 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.2 164.81 20.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.47 166.0 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 1.193 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -116.63 163.01 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.7 166.03 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -170.12 136.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.542 HG23 HG23 ' A' ' 25' ' ' ILE . 1.5 pt -111.46 -176.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 m -125.54 112.79 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.775 HG13 ' CG ' ' A' ' 103' ' ' MET . 10.9 t -100.4 143.93 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.561 ' O ' HG22 ' A' ' 105' ' ' VAL . 59.3 m-70 -118.98 138.54 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CD2' ' CG2' ' A' ' 105' ' ' VAL . 45.0 m-85 -127.52 122.99 34.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' VAL . 7.8 mt -91.26 99.72 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -45.46 164.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -72.16 -15.82 61.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -27.99 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.14 1.53 7.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.1 123.96 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 m -88.18 119.93 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 39' ' ' ASP . 6.9 mp -101.02 147.99 25.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 m -121.12 113.65 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -132.77 128.75 37.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -90.4 134.16 34.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 7' ' ' ILE . . . -133.98 135.38 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -76.69 110.28 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.542 HG23 HG23 ' A' ' 7' ' ' ILE . 1.1 pp -36.15 104.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.92 -18.08 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.674 ' OD2' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -85.43 161.49 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.92 129.29 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 96' ' ' LEU . 61.3 mt -47.04 -56.97 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 92' ' ' CYS . 8.9 tp -40.24 -45.76 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.81 -47.37 86.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.674 HG23 ' OD2' ' A' ' 27' ' ' ASP . 57.4 t -53.39 -50.17 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.14 -53.11 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.3 t -57.68 -35.25 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.174 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.25 -21.35 64.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -98.57 15.67 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' LEU . 28.1 t-20 66.71 22.58 10.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER 36.69 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.472 ' HB3' HD21 ' A' ' 19' ' ' LEU . 4.1 t0 -98.64 37.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.563 HG21 HG21 ' A' ' 107' ' ' VAL . 19.3 mt -132.34 165.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.499 ' N ' HG22 ' A' ' 40' ' ' ILE . 1.1 m-20 -110.08 40.01 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.76 20.22 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 38' ' ' LEU . 10.1 t80 -65.4 141.07 58.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.518 0.775 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.2 161.86 8.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.72 -49.1 2.35 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 124.653 2.168 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.3 p -68.53 3.04 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 120.334 -1.479 . . . . 0.0 113.498 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 5.6 tt0 79.32 -0.85 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.659 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 92.02 26.03 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.5 m -88.89 6.89 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD21 HE22 ' A' ' 93' ' ' GLN . 88.6 mt 68.77 90.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.36 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.217 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.016 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 28.2 p -71.12 -45.43 63.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.63 41.04 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.4 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 5.6 p -127.47 -40.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.413 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.7 t -41.38 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 108.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 1.8 p-80 48.71 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 106' ' ' ARG . 0.5 OUTLIER 169.92 169.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 108' ' ' PRO . 3.8 mm -119.78 135.69 59.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.893 ' CD2' HD11 ' A' ' 67' ' ' LEU . 8.6 m-85 -123.74 122.72 38.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' CB ' HD12 ' A' ' 63' ' ' ILE . 3.6 tp10 -38.13 141.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -25.79 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -81.4 -23.61 37.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.559 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' A' ' 60' ' ' GLU . 7.9 mt -94.9 -51.36 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.883 ' HA ' HD12 ' A' ' 67' ' ' LEU . 6.0 t80 -52.17 -39.91 60.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.17 -18.72 61.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -99.48 12.85 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.893 HD11 ' CD2' ' A' ' 59' ' ' PHE . 50.8 mt -96.49 175.53 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -86.59 164.14 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.78 135.28 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.594 HD12 ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -89.29 179.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 70' ' ' ILE . 56.6 p -116.44 179.53 3.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.17 -53.63 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -46.49 -57.75 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.516 ' OE2' HD11 ' A' ' 70' ' ' ILE . 16.7 tt0 -59.98 -44.23 94.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.45 -41.58 20.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.4 tpp -66.04 -25.17 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -82.37 -41.4 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.626 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -44.23 -50.81 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -41.35 -32.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.15 143.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.53 155.2 19.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.26 42.56 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 79' ' ' ASP . 5.3 mt -41.3 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.458 ' CG2' HD12 ' A' ' 58' ' ' ILE . 22.3 p -97.61 178.87 5.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.27 6.03 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -140.12 27.79 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.469 ' OG ' HD22 ' A' ' 84' ' ' LEU . 11.6 p -77.39 160.89 28.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.851 ' HD3' HD13 ' A' ' 67' ' ' LEU . 3.8 ttt-85 175.67 144.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.612 HD22 ' OE1' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -64.44 153.41 38.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' H ' HD23 ' A' ' 90' ' ' LEU . . . -142.92 50.64 0.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 m -141.19 47.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.612 ' OE1' HD22 ' A' ' 90' ' ' LEU . 1.3 pt20 -176.65 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.8 tp -66.84 152.73 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 11.4 p -108.85 142.31 39.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 29' ' ' LEU . 6.9 mt -52.8 162.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 96' ' ' LEU . 1.1 p -148.2 -167.95 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -83.6 -38.96 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.488 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -56.07 -18.02 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 101' ' ' ASP . 14.1 mmt -78.0 -69.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.668 ' C ' ' O ' ' A' ' 100' ' ' MET . 37.9 p-10 14.43 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 0.8 OUTLIER 82.0 36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.775 ' CG ' HG13 ' A' ' 9' ' ' VAL . 18.1 ptm -80.86 123.09 27.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.5 m -98.74 142.75 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 10' ' ' HIS . 5.1 m -136.85 166.06 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.473 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.4 ttt180 -132.03 150.08 52.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 40' ' ' ILE . 42.9 t -111.37 97.89 37.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.761 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' FES . . . . . 1.016 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.12 87.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.62 103.31 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 2.4 pt-20 179.73 134.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 162.11 131.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.563 ' CD ' ' O ' ' A' ' 5' ' ' ASP . . . -162.76 141.73 8.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.493 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 100' ' ' MET . 2.5 pt -88.87 170.7 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 99.3 m -109.85 137.46 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.451 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.677 HG12 ' CE1' ' A' ' 11' ' ' PHE . 47.7 t -130.3 144.05 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 35.3 m-70 -123.8 141.59 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.677 ' CE1' HG12 ' A' ' 9' ' ' VAL . 37.7 m-85 -130.13 117.91 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 17' ' ' GLU . 12.9 mt -87.35 108.22 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.43 HD22 HD21 ' A' ' 19' ' ' LEU . 2.2 t-20 -51.33 150.37 3.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -59.91 -14.67 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.81 -29.96 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.49 -0.27 6.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.571 1.169 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 12' ' ' ILE . 4.4 mm-40 -70.62 -171.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -150.88 114.66 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.918 HD23 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -99.16 150.38 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -121.79 126.95 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.9 t -150.03 129.98 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' THR . . . -87.89 135.53 33.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.594 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -94.15 -139.2 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.643 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 176.51 82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.643 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -18.96 95.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 138.23 -11.9 3.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . 6.5 t70 -104.98 150.25 25.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.667 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.66 -171.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 91' ' ' GLY . 2.5 mt -96.72 -48.93 5.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.026 HD22 ' SG ' ' A' ' 92' ' ' CYS . 0.9 OUTLIER -51.01 -48.68 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -54.18 -44.61 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 28' ' ' SER . 78.4 t -58.84 -50.83 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.869 HG22 HD21 ' A' ' 38' ' ' LEU . 3.7 t -55.12 -43.27 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.976 HG23 ' CE1' ' A' ' 43' ' ' PHE . 3.1 t -71.12 -34.32 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.8 mm-40 -68.89 -32.86 72.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -81.22 -14.45 57.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 29.34 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.979 HD13 HD12 ' A' ' 40' ' ' ILE . 4.2 pp -64.67 158.73 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -113.66 72.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.979 HD12 HD13 ' A' ' 38' ' ' LEU . 22.0 mt -116.74 111.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.84 92.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.577 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 177.47 -34.79 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.976 ' CE1' HG23 ' A' ' 34' ' ' VAL . 68.7 t80 -21.41 131.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.792 ' H ' HD11 ' A' ' 30' ' ' LEU . . . -40.75 164.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.46 -56.05 2.45 Favored 'General case' 0 C--O 1.257 1.485 0 CA-C-O 124.672 2.177 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 12.7 p -68.33 -0.55 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.372 -1.455 . . . . 0.0 113.44 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 2.5 tt0 88.0 -17.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.608 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 107.52 26.26 5.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 64.6 p -96.31 15.93 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 15.3 mt 67.28 97.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 179.92 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.96 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 26.3 p -89.41 -160.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -159.88 25.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 42' ' ' GLY . 16.6 p -119.35 48.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.45 87.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.488 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -145.64 127.82 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.77 HD12 HG23 ' A' ' 105' ' ' VAL . 2.3 mm? -127.57 133.59 49.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.875 HD13 HG21 ' A' ' 85' ' ' THR . 0.5 OUTLIER -92.45 108.55 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 59.7 m-85 -82.0 -169.73 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -104.82 159.76 15.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.233 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.1 tt0 -67.67 74.29 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER 163.95 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG23 ' CE ' ' A' ' 100' ' ' MET . 28.4 mm -86.61 -49.33 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -53.48 -40.51 65.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -11.95 61.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . . . -92.58 -22.57 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.585 HD11 ' CZ ' ' A' ' 59' ' ' PHE . 93.1 mt -60.01 161.54 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.56 159.77 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.51 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.35 153.07 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -83.34 179.92 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.03 -46.65 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.34 -58.11 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' OE2' ' OE1' ' A' ' 93' ' ' GLN . 4.4 tt0 -59.15 -42.6 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -46.89 -48.54 21.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.27 -58.01 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.2 -35.63 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.84 -38.73 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.594 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -50.8 -45.32 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.82 -24.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.07 149.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -87.25 146.55 25.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 35.53 49.93 0.99 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -39.29 116.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.875 HG21 HD13 ' A' ' 58' ' ' ILE . 6.9 p -88.71 -169.53 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.478 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.71 3.58 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 7.3 ptp180 -145.96 26.54 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.93 134.24 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 78' ' ' LEU . 1.3 tpp180 -159.41 146.76 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.77 HD23 ' H ' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -39.27 147.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.442 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -104.37 -30.55 4.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 1.026 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -76.33 171.72 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' OE1' ' OE2' ' A' ' 74' ' ' GLU . 3.0 mt-30 72.54 -67.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 pt -59.92 127.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -87.44 160.98 18.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 108.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.594 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 30.0 mt -63.68 165.88 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.633 ' HA ' HD13 ' A' ' 25' ' ' ILE . 34.8 p -150.91 160.31 43.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -56.29 -21.67 25.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.26 -2.1 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.553 ' CE ' HG23 ' A' ' 63' ' ' ILE . 25.0 mmt -108.3 21.79 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -66.02 99.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.9 OUTLIER 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -75.17 152.55 38.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.3 m -116.16 138.9 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.77 HG23 HD12 ' A' ' 57' ' ' LEU . 1.3 m -139.47 157.3 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -123.79 151.18 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 40' ' ' ILE . 24.5 t -106.12 103.75 46.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.488 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.96 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.99 137.68 58.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.79 134.28 55.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.21 153.17 33.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -122.78 162.01 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -169.88 134.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.571 ' HB ' ' HA ' ' A' ' 101' ' ' ASP . 0.9 OUTLIER -97.73 -178.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.237 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ASN . 61.6 m -119.34 136.57 54.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.691 HG12 ' CE1' ' A' ' 11' ' ' PHE . 89.9 t -130.48 139.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.633 ' CE1' HG23 ' A' ' 20' ' ' THR . 95.7 m-70 -119.22 144.9 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.691 ' CE1' HG12 ' A' ' 9' ' ' VAL . 28.7 m-85 -129.47 131.98 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' VAL . 13.0 mt -100.43 96.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 2.8 t-20 -54.35 144.12 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.52 -22.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.83 -34.79 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.201 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.02 -10.46 7.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 3.5 pt-20 -77.73 150.06 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 ' C ' HD13 ' A' ' 19' ' ' LEU . 2.2 m -110.13 125.99 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -98.42 155.42 17.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.633 HG23 ' CE1' ' A' ' 10' ' ' HIS . 19.4 m -123.25 116.52 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 9' ' ' VAL . 5.1 t -130.58 174.38 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -137.66 139.62 40.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -139.49 145.44 16.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -82.48 110.88 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.484 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 1.3 tt -36.26 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 134.53 -7.04 4.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -104.29 147.81 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 0.728 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -69.99 155.31 40.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.043 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 96' ' ' LEU . 10.6 mt -71.74 -44.23 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.02 HD21 ' HA3' ' A' ' 44' ' ' GLY . 7.9 mp -49.03 -47.8 44.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -58.83 -45.87 89.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' SER . 89.9 t -55.86 -56.37 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.635 1.21 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . 21.8 t -52.42 -60.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.506 HG23 ' CE1' ' A' ' 43' ' ' PHE . 70.9 t -51.5 -42.97 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.5 mm-40 -65.24 -26.76 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.527 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -102.73 7.11 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 43.85 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.853 HD12 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -60.22 127.15 30.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.8 83.69 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.105 HG21 HG21 ' A' ' 107' ' ' VAL . 23.8 mt -130.45 131.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 86.4 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 175.69 -33.61 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 6.1 t80 -36.84 138.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 1.02 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . -53.75 168.6 1.34 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.45 -49.75 1.4 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-O 124.722 2.201 . . . . 0.0 109.389 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.9 p -67.56 -0.77 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.337 -1.477 . . . . 0.0 113.402 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.4 tp10 85.13 -6.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.251 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.636 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 97.3 25.57 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 31.0 p -94.45 7.18 46.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD21 ' NE2' ' A' ' 93' ' ' GLN . 66.9 mt 72.4 79.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -176.19 31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 32.1 p -144.84 -45.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 69.56 6.15 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 43.7 p -117.93 63.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.799 ' SG ' 'FE2 ' ' A' ' 146' ' ' FES . 7.0 p -155.3 32.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 108' ' ' PRO . 17.7 p-80 -96.3 131.86 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.692 HD22 ' CG2' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -122.36 172.7 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.809 HD13 HG21 ' A' ' 85' ' ' THR . 0.7 OUTLIER -119.72 109.48 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.863 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -83.29 130.9 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.1 mt-10 -35.78 152.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 3.1 mt-30 -67.68 79.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER 160.25 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.482 HG21 ' SD ' ' A' ' 100' ' ' MET . 3.4 mt -77.42 -48.97 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 6.3 t80 -57.18 -39.31 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -12.29 31.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 67' ' ' LEU . . . -101.19 -51.63 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.863 HD12 ' CD2' ' A' ' 59' ' ' PHE . 14.8 mt -42.21 163.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.44 -173.22 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.41 -169.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.44 153.21 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -82.95 -175.48 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.4 -57.87 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -43.17 -51.15 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' OE2' ' NE2' ' A' ' 93' ' ' GLN . 41.0 mt-10 -67.28 -35.23 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.32 -31.97 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.63 -58.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.74 -42.88 19.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -42.6 -49.03 5.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -39.99 -30.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.661 ' HB3' ' HG ' ' A' ' 84' ' ' LEU . . . -37.56 136.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.423 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -85.28 151.53 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 36.79 42.11 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.661 ' HG ' ' HB3' ' A' ' 81' ' ' ALA . 4.2 mt -43.41 127.04 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.809 HG21 HD13 ' A' ' 58' ' ' ILE . 5.7 p -101.5 -169.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.51 13.19 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.505 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 1.3 ptp85 -150.58 29.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.462 ' OG ' HG23 ' A' ' 58' ' ' ILE . 58.3 m -113.89 132.97 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 7.7 ttp-105 -168.45 87.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.883 HD12 ' CD ' ' A' ' 93' ' ' GLN . 0.5 OUTLIER 46.57 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.65 -44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.871 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -57.39 -63.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.883 ' CD ' HD12 ' A' ' 90' ' ' LEU . 44.7 mt-30 -31.87 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -40.8 135.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.1 p -106.06 164.88 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 29' ' ' LEU . 2.4 mt -61.06 145.1 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.403 ' C ' HD12 ' A' ' 25' ' ' ILE . 30.3 p -140.74 179.33 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.484 ' HG3' ' CD1' ' A' ' 25' ' ' ILE . . . -77.58 -18.17 57.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.59 6.02 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.693 ' O ' ' C ' ' A' ' 101' ' ' ASP . 5.6 mmt -108.72 -51.91 2.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -5.24 101.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.8 t-20 79.85 32.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -78.16 150.87 33.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.2 m -117.92 133.22 56.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.692 ' CG2' HD22 ' A' ' 57' ' ' LEU . 2.2 m -132.28 155.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -118.18 150.9 38.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.105 HG21 HG21 ' A' ' 40' ' ' ILE . 40.9 t -107.23 108.25 61.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.412 1.743 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.982 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.97 174.65 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -157.17 164.06 38.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.073 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.89 173.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.75 162.45 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 6' ' ' LYS . . . -177.42 117.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.852 HD12 ' N ' ' A' ' 101' ' ' ASP . 3.5 pt -110.68 -176.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.806 HG12 ' CE1' ' A' ' 11' ' ' PHE . 60.9 t -130.3 119.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.615 ' CE1' HG23 ' A' ' 20' ' ' THR . 65.7 m-70 -95.86 145.37 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.548 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.806 ' CE1' HG12 ' A' ' 9' ' ' VAL . 13.4 m-85 -129.6 122.05 28.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 104' ' ' THR . 7.6 mt -91.9 97.06 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.726 ' OD1' HG23 ' A' ' 40' ' ' ILE . 3.2 t-20 -55.17 145.25 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.39 -22.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -34.78 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.06 -10.23 8.35 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -79.49 151.99 30.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -104.58 125.32 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.509 HD22 ' CG1' ' A' ' 40' ' ' ILE . 10.4 mp -101.38 153.68 19.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.615 HG23 ' CE1' ' A' ' 10' ' ' HIS . 21.8 m -117.75 135.69 53.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 11' ' ' PHE . 11.5 t -165.35 129.54 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -76.84 148.11 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -105.58 -107.39 3.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.44 92.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -32.81 97.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 129.99 -14.72 5.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 32' ' ' VAL . 48.9 t0 -81.98 156.26 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.75 -84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.024 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' SER . 1.7 mt 168.1 -51.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.838 HD21 ' SG ' ' A' ' 55' ' ' CYS . 3.5 mp -56.3 -44.69 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -53.63 -42.25 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 83.0 t -57.05 -32.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' CE2' ' A' ' 11' ' ' PHE . 22.1 t -77.5 -36.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -53.34 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.69 -11.42 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -93.75 -5.84 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 31.8 t30 84.11 20.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 36.95 75.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -98.25 37.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.058 HG21 HG21 ' A' ' 107' ' ' VAL . 84.2 mt -140.73 145.53 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.64 95.02 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.37 -27.79 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CZ ' HD23 ' A' ' 30' ' ' LEU . 75.2 t80 -40.31 160.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 55' ' ' CYS . . . -59.54 -153.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.55 -47.22 0.04 OUTLIER 'General case' 0 C--O 1.258 1.536 0 CA-C-O 124.679 2.181 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.7 p -67.6 0.18 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.339 -1.475 . . . . 0.0 113.445 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 15.1 tt0 88.3 -18.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.604 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 104.11 75.5 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 p -145.83 11.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD13 ' HG2' ' A' ' 73' ' ' GLU . 35.1 mt 69.08 79.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.82 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.056 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 24.9 p -69.02 -45.69 69.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t 60.02 59.08 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.4 p -146.34 -45.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.838 ' SG ' HD21 ' A' ' 30' ' ' LEU . 3.0 t -50.23 124.59 10.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.775 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -164.93 138.02 4.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.626 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 56' ' ' HIS . 3.5 mm? -135.59 144.61 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.808 HD11 ' HG3' ' A' ' 108' ' ' PRO . 3.6 mm -98.8 109.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.968 ' CD2' HD11 ' A' ' 67' ' ' LEU . 30.2 m-85 -91.38 131.8 36.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.2 mt-10 -32.61 143.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.432 ' CA ' ' HD3' ' A' ' 87' ' ' ARG . 4.0 pt20 -56.09 -15.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -99.16 -38.7 8.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 33.3 mm -71.76 -46.41 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.795 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.9 t80 -49.63 -35.96 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.93 -18.33 59.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -88.82 -4.74 58.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.968 HD11 ' CD2' ' A' ' 59' ' ' PHE . 54.5 mt -83.0 172.32 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 89' ' ' ARG . 3.9 mm-40 -92.71 169.31 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.215 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.87 175.45 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.538 HD13 HH21 ' A' ' 89' ' ' ARG . 1.6 tp -147.43 164.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 70' ' ' ILE . 23.7 p -75.95 -177.46 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.13 -34.25 29.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG2' HD13 ' A' ' 50' ' ' LEU . 14.3 tt0 -51.37 -52.63 44.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -41.92 85.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -48.39 -31.59 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.5 -41.48 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.2 tpp -65.61 -23.05 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -94.14 -15.64 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.829 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -62.64 -52.13 64.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -47.54 -28.81 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -40.26 153.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.93 148.27 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.38 49.83 2.29 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.155 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.829 HD11 ' HA ' ' A' ' 79' ' ' ASP . 5.4 mt -41.33 116.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.417 ' CG2' HD12 ' A' ' 58' ' ' ILE . 3.4 p -89.43 163.54 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.449 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.51 -18.03 62.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.446 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -121.85 31.0 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 t -84.46 170.11 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.068 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.644 ' HD2' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -175.3 154.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.88 -113.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.12 -52.3 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.642 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.08 72.45 10.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' CYS . 1.5 mt-30 166.77 51.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -174.1 123.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.25 143.72 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 12.1 mt -69.36 163.51 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.808 ' HA ' HD12 ' A' ' 25' ' ' ILE . 21.8 p -149.71 -179.37 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -74.31 -27.38 60.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.92 -4.79 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.624 ' O ' ' C ' ' A' ' 101' ' ' ASP . 16.3 mmt -100.75 -53.71 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.852 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.3 t70 -19.88 108.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.599 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 13.4 t-20 90.14 20.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -80.37 148.96 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 12' ' ' ILE . 2.6 m -116.13 133.19 56.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -129.9 159.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 43.5 ttt180 -120.26 150.91 39.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 1.058 HG21 HG21 ' A' ' 40' ' ' ILE . 59.0 t -111.12 97.65 35.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.808 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' FES . . . . . 1.056 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -130.62 157.54 42.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -131.58 147.06 52.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.8 162.88 25.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -124.15 156.06 37.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 6' ' ' LYS . . . -173.86 136.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 pt -108.48 -178.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 26.5 m -117.55 135.82 53.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.717 HG12 ' CE1' ' A' ' 11' ' ' PHE . 32.0 t -130.89 137.59 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.504 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.8 m-70 -113.47 143.49 44.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.717 ' CE1' HG12 ' A' ' 9' ' ' VAL . 34.4 m-85 -133.88 124.46 26.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' A' ' 106' ' ' ARG . 8.3 mt -92.45 100.89 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.2 t-20 -56.37 140.35 45.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -46.67 -26.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -36.3 82.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' ASN . . . 128.61 -13.29 6.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 8.2 pt-20 -76.66 157.78 31.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.752 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -113.38 127.15 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -99.88 145.92 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.504 HG23 ' CE1' ' A' ' 10' ' ' HIS . 17.4 m -119.1 112.84 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -129.2 167.58 17.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -129.19 127.97 42.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.622 ' HA3' HD12 ' A' ' 96' ' ' LEU . . . -122.9 148.35 16.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -94.82 109.08 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 98' ' ' LYS . 1.2 tt -34.59 99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 135.74 -12.42 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -94.53 134.79 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.1 m -53.97 100.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.43 -24.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -66.2 -34.06 77.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' SER . 6.2 m-20 -81.27 -35.39 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 29' ' ' LEU . 42.2 t -39.45 -47.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.602 HG12 ' CE1' ' A' ' 43' ' ' PHE . 9.5 t -68.8 -46.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 43' ' ' PHE . 57.2 t -55.53 -45.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.0 -32.19 73.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.73 -23.97 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t30 64.71 45.54 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.484 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -94.03 157.75 15.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 80.35 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.789 ' CG2' HG21 ' A' ' 107' ' ' VAL . 18.0 mt -130.97 169.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -103.32 23.4 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -109.11 7.48 32.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CE1' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -62.29 -11.35 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' CA ' ' S2 ' ' A' ' 146' ' ' FES . . . 58.1 105.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.07 -56.57 8.4 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-O 124.684 2.183 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 20.3 p -70.6 2.03 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 120.271 -1.518 . . . . 0.0 113.452 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 4.4 tt0 84.18 -12.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.663 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 104.79 33.05 3.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -100.57 -0.26 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.446 0.733 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.514 HD13 ' HG2' ' A' ' 73' ' ' GLU . 20.0 mt 81.66 77.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.84 18.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.98 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 26.3 p -132.13 -22.84 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB2' ' CE ' ' A' ' 77' ' ' MET . 4.8 t 46.98 29.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -142.38 84.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -178.33 48.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.631 ' CE1' ' HA ' ' A' ' 81' ' ' ALA . 2.3 p-80 -110.67 151.36 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -146.22 168.37 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.728 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.4 mm -105.49 108.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.732 ' CD2' HD11 ' A' ' 67' ' ' LEU . 61.1 m-85 -97.02 126.9 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.761 ' CB ' HD12 ' A' ' 63' ' ' ILE . 3.3 tt0 -36.13 146.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -57.82 -19.57 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -16.34 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.761 HD12 ' CB ' ' A' ' 60' ' ' GLU . 12.2 mt -98.93 -51.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.626 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.8 t80 -49.88 -40.44 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -17.63 60.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.675 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -89.9 -14.53 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.732 HD11 ' CD2' ' A' ' 59' ' ' PHE . 72.6 mt -77.5 163.34 26.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -71.47 159.84 33.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.394 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 170.6 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.432 HG12 ' CB ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -125.56 175.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -121.03 179.79 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.456 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.54 -56.37 22.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG2' HD13 ' A' ' 50' ' ' LEU . 14.4 tt0 -45.11 -55.84 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.507 ' OE1' HD23 ' A' ' 90' ' ' LEU . 18.9 mt-10 -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -58.41 -29.78 66.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.25 -52.76 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 53' ' ' SER . 0.4 OUTLIER -65.92 -8.39 22.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -107.45 -35.6 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.602 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.46 -44.71 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.63 -21.37 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HA ' ' CE1' ' A' ' 56' ' ' HIS . . . -41.08 156.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.79 125.33 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.01 -47.13 3.63 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER 45.51 78.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.713 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.505 ' CG2' HD12 ' A' ' 58' ' ' ILE . 27.8 p -63.13 -173.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.9 12.42 13.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.4 27.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.481 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -101.54 154.19 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.541 ' HD2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.86 154.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.777 HD21 ' SG ' ' A' ' 92' ' ' CYS . 41.5 tp -46.2 146.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.475 ' O ' HD21 ' A' ' 29' ' ' LEU . . . -131.32 47.84 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.777 ' SG ' HD21 ' A' ' 90' ' ' LEU . 7.3 p -131.07 -175.89 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 92' ' ' CYS . 10.8 pt20 31.06 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.228 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 8.6 mm -138.61 154.17 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.34 134.76 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.632 HD11 HG21 ' A' ' 9' ' ' VAL . 9.7 mt -44.42 159.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.492 ' C ' HD12 ' A' ' 25' ' ' ILE . 39.9 p -134.36 -173.48 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -87.87 7.24 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.675 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -110.76 2.9 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.632 ' CE ' HG23 ' A' ' 63' ' ' ILE . 31.3 mmt -106.44 0.86 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -48.69 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.6 t-20 64.66 44.55 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.624 ' HG3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -85.62 153.15 22.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -119.05 139.36 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 10' ' ' HIS . 3.4 m -137.7 153.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 42.2 ttt85 -120.42 149.44 42.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.789 HG21 ' CG2' ' A' ' 40' ' ' ILE . 8.9 t -111.4 99.17 43.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.728 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.98 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 3' ' ' SER . 14.0 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m 64.9 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 1' ' ' SER . 1.1 m -39.97 138.16 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.63 -62.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.55 161.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -174.94 150.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.848 HD11 HD13 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -122.85 165.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 53.5 m -109.85 118.35 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.604 HG13 ' HE3' ' A' ' 103' ' ' MET . 23.1 t -109.97 137.97 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.722 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.2 m-70 -121.57 144.23 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.684 ' O ' HD22 ' A' ' 19' ' ' LEU . 56.4 m-85 -130.82 126.36 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.082 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 mt -90.4 101.04 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -58.31 146.04 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -49.9 -28.64 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -30.03 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.32 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' ASN . 8.5 pt-20 -75.55 156.42 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.4 m -113.54 128.59 56.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -95.28 157.16 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.722 HG23 ' CE1' ' A' ' 10' ' ' HIS . 28.7 m -126.51 117.93 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -146.38 124.94 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' THR . . . -81.62 138.22 35.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.675 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -100.0 -134.87 8.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.675 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 177.05 83.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.675 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -14.51 109.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.27 -12.75 31.11 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 28' ' ' SER . 56.1 t0 -82.88 156.11 23.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.468 ' C ' ' N ' ' A' ' 30' ' ' LEU . 42.1 m -80.52 90.66 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.934 HD21 ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -38.19 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.924 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -64.1 -56.73 12.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.2 m-20 -56.82 -44.13 81.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' OD2' ' A' ' 27' ' ' ASP . 34.0 t -39.94 -52.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 43' ' ' PHE . 94.1 t -47.37 -65.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.93 -40.56 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -101.65 -1.32 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 64.33 28.23 13.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -72.05 128.83 36.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 83.03 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.947 ' CG2' HG11 ' A' ' 107' ' ' VAL . 26.4 mt -123.27 139.59 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -86.51 48.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.86 33.27 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.665 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -97.44 38.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.787 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . 57.25 115.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 52' ' ' CYS . . . -92.57 -29.67 16.05 Favored 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.626 2.155 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 17.0 p -94.01 6.86 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 120.378 -1.451 . . . . 0.0 113.541 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 73.73 4.28 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.666 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 87.54 28.94 23.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 37.1 p -95.97 9.22 41.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' THR . 94.9 mt 70.53 89.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . -166.71 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.029 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 9.8 p -69.23 -47.37 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 0.0 108.263 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 88.28 -17.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 56' ' ' HIS . 2.3 p -88.06 -109.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.505 ' HB3' ' S2 ' ' A' ' 146' ' ' FES . 5.2 p 44.32 28.79 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -71.77 162.17 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 105' ' ' VAL . 7.5 tp -168.61 159.27 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.552 HD12 ' CG2' ' A' ' 85' ' ' THR . 1.5 mm -116.54 115.93 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.653 ' CE2' HD21 ' A' ' 67' ' ' LEU . 6.2 m-85 -91.56 129.36 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PHE . 12.1 mt-10 -33.61 146.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.2 pm0 -64.93 73.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 168.94 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.81 HG21 ' SD ' ' A' ' 100' ' ' MET . 9.3 mm -81.35 -43.1 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 11.5 t80 -53.06 -40.96 64.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.38 -2.84 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . . . -100.72 -34.21 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.653 HD21 ' CE2' ' A' ' 59' ' ' PHE . 31.1 mt -43.51 158.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.77 138.09 55.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.06 134.61 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.405 HD11 ' N ' ' A' ' 75' ' ' ASN . 5.0 tt -84.94 118.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -53.69 -51.01 64.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' THR . 0.8 OUTLIER 153.26 -51.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 4.1 tt0 -51.28 -46.91 62.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.41 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' N ' HD11 ' A' ' 70' ' ' ILE . 8.6 t30 -67.34 -32.71 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.09 -41.16 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 tpt -71.89 -17.96 62.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.657 ' HG ' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -84.69 -34.8 22.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.687 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -42.42 -47.61 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -44.49 -39.18 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -38.71 140.75 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.73 136.95 32.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.32 -48.03 3.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 79' ' ' ASP . 6.8 mt 45.42 81.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.552 ' CG2' HD12 ' A' ' 58' ' ' ILE . 74.4 p -64.55 -170.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.64 16.37 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 9.1 ptp180 -150.0 25.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 85' ' ' THR . 6.6 m -78.04 158.82 29.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.607 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.7 OUTLIER 178.91 136.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 93' ' ' GLN . 2.1 tp -39.5 150.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.934 ' O ' HD21 ' A' ' 29' ' ' LEU . . . -89.11 -43.72 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.876 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.6 -163.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.592 ' HB2' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER 73.26 -63.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.94 153.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.58 153.89 23.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.848 HD13 HD11 ' A' ' 7' ' ' ILE . 17.6 mt -51.39 170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.529 ' HA ' HD13 ' A' ' 25' ' ' ILE . 29.0 p -145.7 174.58 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -78.4 -13.56 59.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.39 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.81 ' SD ' HG21 ' A' ' 63' ' ' ILE . 3.8 mmt -112.49 6.14 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.532 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 9.6 t0 -58.77 99.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' THR . 5.4 t-20 81.63 34.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.604 ' HE3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 150.25 35.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -118.13 132.83 56.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 57' ' ' LEU . 2.8 m -134.71 150.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -112.62 151.13 30.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.947 HG11 ' CG2' ' A' ' 40' ' ' ILE . 44.6 t -105.85 105.92 54.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' FES . . . . . 1.029 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.17 124.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p 174.04 122.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.19 172.14 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -107.49 154.0 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -175.88 125.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 2.6 pt -123.91 172.9 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 m -102.99 127.34 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.927 HG12 ' CE1' ' A' ' 11' ' ' PHE . 60.5 t -130.02 123.68 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.568 ' O ' HG22 ' A' ' 105' ' ' VAL . 98.6 m-70 -99.62 144.21 28.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.927 ' CE1' HG12 ' A' ' 9' ' ' VAL . 43.8 m-85 -134.07 118.7 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' ' 106' ' ' ARG . 8.1 mt -87.09 104.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' GLU . 1.4 t30 -56.25 166.86 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -69.89 -19.12 63.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -26.24 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.73 -9.94 12.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ASN . 5.4 pt-20 -77.11 148.95 35.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 0.813 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -104.11 125.5 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 40' ' ' ILE . 6.1 mp -97.27 150.52 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.503 HG23 ' CE1' ' A' ' 10' ' ' HIS . 76.0 m -125.71 125.65 43.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 32' ' ' VAL . 6.9 t -152.25 143.36 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.446 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -71.95 -178.52 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' ILE . . . -142.42 -137.53 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.669 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 171.47 69.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.799 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -13.96 90.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 136.21 -19.06 3.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -84.84 146.08 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.5 m -67.65 162.98 22.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.32 -41.8 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -59.9 -24.67 64.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.54 -50.69 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 28' ' ' SER . 73.4 t -48.9 -31.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.0 -49.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.7 t -60.08 -30.78 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -83.06 -16.06 48.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 26.5 t-20 -93.13 11.5 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 14.8 t-20 82.29 18.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER 33.15 86.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.717 HG21 HG21 ' A' ' 107' ' ' VAL . 81.2 mt -138.16 70.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.01 20.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.48 4.45 24.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 57' ' ' LEU . 2.0 t80 37.57 -143.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' PHE . . . -36.06 125.82 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.95 -28.56 12.32 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 124.673 2.178 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.1 p -91.72 1.13 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.332 -1.48 . . . . 0.0 113.486 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 0.7 OUTLIER 83.27 -6.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.051 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.657 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 96.35 27.78 9.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.0 p -97.48 10.1 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt 70.0 80.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.31 31.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.98 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 30.6 p -145.01 -46.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 73.02 1.11 3.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -113.59 71.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.846 ' HG ' 'FE2 ' ' A' ' 146' ' ' FES . 7.0 p -161.64 32.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -88.53 155.57 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.84 HD21 HG22 ' A' ' 107' ' ' VAL . 17.9 mt -152.98 150.68 29.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.718 HG23 ' OG1' ' A' ' 85' ' ' THR . 2.2 mm -97.54 109.2 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 67' ' ' LEU . 51.6 m-85 -99.91 126.71 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' CB ' HG13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -38.18 145.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.52 -20.98 14.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -19.25 27.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' A' ' 103' ' ' MET . 3.2 mt -97.68 -51.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 67' ' ' LEU . 23.2 t80 -53.33 -38.74 63.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.73 -17.57 64.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.692 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -94.62 -30.82 14.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.831 HD11 ' CD2' ' A' ' 59' ' ' PHE . 70.6 mt -57.63 160.98 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 54.1 mm-40 -73.14 158.48 35.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.4 169.34 14.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.426 HD11 ' HG2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -118.47 160.45 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 p -101.51 179.41 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.77 -58.9 5.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -46.54 -53.36 11.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' A' ' 90' ' ' LEU . 6.4 tt0 -62.01 -39.69 93.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -52.89 -41.9 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.01 -46.91 85.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.43 -27.46 69.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -77.67 -42.1 35.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.471 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -42.22 -51.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -39.38 -35.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -44.11 134.25 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -84.89 155.16 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 36.13 40.28 0.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 81' ' ' ALA . 7.2 mt -38.73 117.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.718 ' OG1' HG23 ' A' ' 58' ' ' ILE . 23.7 p -87.47 156.51 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -55.35 -28.01 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 2.5 ptp180 -110.94 40.42 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.524 ' OG ' HD23 ' A' ' 84' ' ' LEU . 11.2 t -104.45 164.97 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' A' ' 78' ' ' LEU . 39.1 ttm180 173.47 135.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 74' ' ' GLU . 3.4 tp -46.13 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 92' ' ' CYS . . . 117.85 -119.06 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.6 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.7 p 49.66 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' A' ' 92' ' ' CYS . 11.5 pt20 30.57 41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -123.58 -170.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 94' ' ' ILE . 2.2 p -145.54 141.0 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 7' ' ' ILE . 14.1 mt -63.74 171.3 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.697 ' HA ' HD12 ' A' ' 25' ' ' ILE . 34.6 p -156.9 178.81 9.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.489 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -72.42 -23.65 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.692 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -75.15 -3.97 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.396 1.06 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.608 ' HE1' HG23 ' A' ' 63' ' ' ILE . 27.5 mmt -110.92 15.21 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.627 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 24.2 p-10 -71.13 89.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.5 p-10 92.87 31.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.617 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -77.89 150.96 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 111.08 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.7 m -119.17 137.48 53.59 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 57' ' ' LEU . 5.5 m -132.47 158.06 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.654 ' O ' HD23 ' A' ' 57' ' ' LEU . 66.9 ttt180 -126.1 147.93 49.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.84 HG22 HD21 ' A' ' 57' ' ' LEU . 38.8 t -105.66 104.07 46.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.643 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.553 1.818 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' FES . . . . . 0.98 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 p -167.13 170.94 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.43 168.87 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -156.21 171.27 20.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.95 155.27 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 6' ' ' LYS . . . -177.97 114.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 100' ' ' MET . 5.2 pt -109.77 -176.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 55.5 m -112.19 131.92 55.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 96' ' ' LEU . 40.7 t -129.98 138.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.703 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.5 m-70 -116.33 143.97 44.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.545 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.706 ' CE1' HG12 ' A' ' 9' ' ' VAL . 29.6 m-85 -132.28 122.5 25.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' VAL . 12.6 mt -89.73 100.15 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -45.53 169.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HG2' HG12 ' A' ' 107' ' ' VAL . 49.5 mtp180 -71.51 -23.63 61.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -28.13 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.66 2.69 8.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.65 124.67 28.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 m -86.23 118.65 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 6.6 mp -99.56 148.87 23.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.703 HG23 ' CE1' ' A' ' 10' ' ' HIS . 31.6 m -120.47 131.27 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.467 HG21 HG12 ' A' ' 32' ' ' VAL . 5.2 t -158.31 136.9 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.372 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -80.34 149.09 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.614 ' CA ' HD13 ' A' ' 96' ' ' LEU . . . -126.41 139.77 11.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -93.25 89.5 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -24.06 97.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 128.48 -29.73 3.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.39 157.64 36.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -74.98 97.95 3.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -45.26 -26.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.839 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.72 -43.39 93.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' SER . 89.5 m-20 -71.47 -39.52 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.49 HG21 HD11 ' A' ' 96' ' ' LEU . 55.4 t -38.97 -35.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 38' ' ' LEU . 71.1 t -62.22 -73.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 43' ' ' PHE . 3.8 t -51.35 -42.18 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -45.96 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.565 ' HB3' HD13 ' A' ' 38' ' ' LEU . 2.1 t-20 -93.35 24.04 4.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.54 33.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HB3' HG13 ' A' ' 33' ' ' VAL . 1.1 mp -43.48 151.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.76 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.568 HD12 HD23 ' A' ' 38' ' ' LEU . 15.6 mt -139.95 59.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -38.66 112.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . 136.83 -13.61 3.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 2.2 t80 -36.71 94.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 0.784 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.693 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . 35.77 -125.47 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 44' ' ' GLY . . . 163.59 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.258 1.533 0 CA-C-O 124.616 2.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.7 p -91.95 11.09 26.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.34 -1.475 . . . . 0.0 113.449 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 69.91 5.24 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.679 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 83.44 92.21 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 49' ' ' THR . 1.3 m -168.86 23.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 77' ' ' MET . 28.9 mt 58.07 84.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.78 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.045 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 18.9 p -74.49 -46.87 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 54' ' ' THR . 32.2 t 63.41 63.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -157.61 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -62.81 130.91 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.632 ' C ' HD22 ' A' ' 57' ' ' LEU . 11.8 t-80 -170.96 140.37 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.762 HD11 HG22 ' A' ' 107' ' ' VAL . 3.2 mm? -136.44 142.13 43.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.8 mm -94.92 115.62 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CG ' HD11 ' A' ' 67' ' ' LEU . 51.4 m-85 -85.85 122.9 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' PHE . 34.5 mt-10 -34.09 149.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 6.9 pt20 -65.65 75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER 172.14 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.798 HG21 ' SD ' ' A' ' 100' ' ' MET . 17.7 mm -83.49 -44.44 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' HA ' HD12 ' A' ' 67' ' ' LEU . 5.3 t80 -52.65 -31.97 39.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 6.4 pt-20 -78.08 -4.3 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ILE . . . -104.57 -23.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.695 HD11 ' CG ' ' A' ' 59' ' ' PHE . 36.3 mt -62.48 157.05 21.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.16 159.35 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.95 127.98 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.785 HD11 ' OE2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -78.97 160.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.0 p -102.02 179.52 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -60.1 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' A' ' 50' ' ' LEU . 12.7 tt0 -44.96 -51.3 9.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.785 ' OE2' HD11 ' A' ' 70' ' ' ILE . 54.6 tt0 -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ASP . 63.3 t30 -52.01 -40.69 61.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.37 -51.5 69.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.524 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 8.1 tpp -62.3 -14.95 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -100.19 -25.77 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.511 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -69.68 -54.78 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.4 mp -57.18 -20.26 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -40.36 156.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 121.85 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.01 3.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.516 HD23 ' OG ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 41.33 82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.729 ' OG1' HG23 ' A' ' 58' ' ' ILE . 40.4 p -67.5 178.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -78.79 -10.34 59.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.681 ' CG ' HG22 ' A' ' 58' ' ' ILE . 5.5 ptp180 -125.83 17.22 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.516 ' OG ' HD23 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -74.74 129.16 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' NH1' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.42 53.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HA ' ' CG ' ' A' ' 56' ' ' HIS . 3.3 tt 38.84 -108.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.483 ' O ' HD21 ' A' ' 29' ' ' LEU . . . 127.1 51.02 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.096 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.526 ' CB ' HD13 ' A' ' 30' ' ' LEU . 5.8 p -135.96 11.97 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -135.74 8.71 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 30.5 mm -122.76 143.86 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' HG23 ' A' ' 97' ' ' THR . 10.5 p -106.46 141.82 37.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.328 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -41.34 158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 95' ' ' CYS . 33.5 p -144.2 176.57 9.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.671 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -75.35 -27.19 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.12 -4.94 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.798 ' SD ' HG21 ' A' ' 63' ' ' ILE . 4.4 mmt -100.73 12.58 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.83 100.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.0 OUTLIER 74.18 41.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.427 ' CG ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -80.91 155.05 26.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 m -121.24 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.722 HG23 HD12 ' A' ' 57' ' ' LEU . 2.5 m -134.44 164.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 ttt-85 -124.24 150.12 45.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.762 HG22 HD11 ' A' ' 57' ' ' LEU . 47.2 t -106.22 103.89 47.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.826 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' FES . . . . . 1.045 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -122.43 159.74 26.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -139.98 179.16 6.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -155.23 125.51 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -164.56 110.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -178.16 135.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 100' ' ' MET . 4.0 pt -104.45 178.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 26.8 m -112.45 132.74 54.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.699 HG12 ' CE1' ' A' ' 11' ' ' PHE . 41.6 t -127.29 136.25 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -110.58 138.89 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CE1' HG12 ' A' ' 9' ' ' VAL . 41.1 m-85 -129.36 121.69 27.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.4 mt -92.08 106.22 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.14 150.15 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -55.36 -22.76 20.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -35.39 80.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.15 -15.01 5.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.71 165.27 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -122.13 122.84 40.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 145.32 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -116.24 113.9 23.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -129.33 172.29 11.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -130.51 133.3 46.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -98.39 -145.65 19.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.676 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -176.26 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -13.0 92.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 142.25 -21.73 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 24' ' ' LYS . 9.8 t70 -96.07 151.25 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.862 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.1 t -69.4 177.73 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 96' ' ' LEU . 10.7 mt -99.11 -39.48 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 92' ' ' CYS . 3.1 tp -59.77 -28.82 67.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.05 -42.2 26.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 28' ' ' SER . 96.8 t -51.88 -33.08 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG21 ' CE2' ' A' ' 43' ' ' PHE . 22.1 t -75.7 -51.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.1 t -57.78 -27.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -83.91 -15.29 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -97.7 16.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.7 t30 77.97 12.23 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 36.4 76.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.96 31.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.596 HD13 HG21 ' A' ' 107' ' ' VAL . 31.0 mt -140.66 57.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.4 m-20 -39.49 114.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.2 -22.86 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.421 1.075 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CE2' HG21 ' A' ' 33' ' ' VAL . 2.5 t80 -52.0 107.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.717 . . . . 0.0 110.998 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 55' ' ' CYS . . . 60.6 118.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 52' ' ' CYS . . . -100.22 -28.83 12.8 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 124.683 2.183 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 49' ' ' THR . 9.6 p -91.85 3.99 53.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.271 -1.518 . . . . 0.0 113.498 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 76.8 3.19 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.643 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 87.24 91.29 1.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.446 HG22 ' SG ' ' A' ' 46' ' ' CYS . 13.5 t -169.69 25.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 74' ' ' GLU . 24.1 mt 53.73 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.87 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.073 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 21.0 p -75.63 -47.57 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.373 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 p 69.35 6.18 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.8 p -111.27 30.58 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.623 ' SG ' 'FE2 ' ' A' ' 146' ' ' FES . 5.7 p -122.5 18.14 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.2 OUTLIER -59.46 161.08 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' C ' HD13 ' A' ' 58' ' ' ILE . 92.9 mt -152.68 158.4 42.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.87 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.4 mm -112.66 107.63 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 47.0 m-85 -93.38 129.88 39.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 2.6 mt-10 -35.55 134.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 87' ' ' ARG . 1.7 mt-30 -52.78 -20.1 2.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.71 -23.15 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.611 HG23 ' CE ' ' A' ' 100' ' ' MET . 16.1 mt -91.98 -53.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.811 ' HA ' HD12 ' A' ' 67' ' ' LEU . 66.9 t80 -49.78 -20.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -93.07 24.49 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.777 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . . . -155.36 29.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 64' ' ' PHE . 35.4 mt -114.03 155.27 26.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.11 159.73 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.88 -170.71 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -144.92 -177.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.223 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.586 ' N ' HG23 ' A' ' 70' ' ' ILE . 1.5 p -110.05 -168.3 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 75' ' ' ASN . 12.3 p-10 -76.65 -40.81 47.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -49.87 -54.44 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' HD13 ' A' ' 50' ' ' LEU . 11.1 tt0 -64.75 -46.56 81.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 27.4 t30 -40.76 -39.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.06 -50.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.529 ' HE2' HD13 ' A' ' 90' ' ' LEU . 10.2 tmm? -51.51 -32.08 26.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.62 ' O ' HD11 ' A' ' 84' ' ' LEU . 5.4 mt -82.95 -25.66 32.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -43.78 98.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 34.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -97.42 174.37 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER -99.42 136.29 39.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' THR . . . 35.21 54.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' ' 78' ' ' LEU . 9.0 mt -37.6 98.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.511 HG21 HD12 ' A' ' 58' ' ' ILE . 62.7 p -67.53 173.19 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -87.3 11.62 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 3.0 ptp180 -149.63 24.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -71.4 138.31 49.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 109.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.53 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . 2.2 mmm180 -151.08 178.5 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.762 HD21 ' SG ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -106.2 151.59 24.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' LEU . . . -150.69 46.81 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.762 ' SG ' HD21 ' A' ' 90' ' ' LEU . 12.0 p -111.39 -30.05 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.583 ' NE2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -120.19 -133.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 93' ' ' GLN . 8.8 pt 46.98 -162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -142.3 142.83 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.351 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 29' ' ' LEU . 15.0 mt -59.41 164.99 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.881 ' HA ' HD12 ' A' ' 25' ' ' ILE . 29.4 p -142.56 154.0 44.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.45 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -53.52 -33.84 55.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.777 ' HB1' ' HD2' ' A' ' 66' ' ' LYS . . . -57.94 -20.23 36.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.865 ' O ' HD12 ' A' ' 7' ' ' ILE . 34.4 mmt -93.22 25.68 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 12.5 p-10 -70.66 90.68 0.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.6 p-10 91.09 24.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -64.44 155.95 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 m -126.37 143.96 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -141.31 155.17 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.543 ' HB2' HD12 ' A' ' 12' ' ' ILE . 37.4 ttt-85 -120.47 151.44 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 40' ' ' ILE . 92.2 t -112.32 95.94 33.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.87 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' FES . . . . . 1.073 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -174.9 127.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.885 HD11 HD13 ' A' ' 96' ' ' LEU . 5.3 pt -108.07 -179.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 28.1 m -115.4 136.72 52.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.749 HG12 ' CE1' ' A' ' 11' ' ' PHE . 57.9 t -130.91 137.37 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.691 ' CE1' HG23 ' A' ' 20' ' ' THR . 96.7 m-70 -118.61 140.21 50.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.648 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.749 ' CE1' HG12 ' A' ' 9' ' ' VAL . 55.9 m-85 -128.34 117.88 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 17' ' ' GLU . 12.6 mt -86.37 109.24 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -52.87 158.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -12.42 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -29.4 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.28 -0.89 7.07 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -70.79 -170.69 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -152.13 115.28 4.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -97.53 149.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.691 HG23 ' CE1' ' A' ' 10' ' ' HIS . 35.5 m -121.9 120.45 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 9' ' ' VAL . 11.2 t -141.88 131.82 24.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -92.4 125.6 37.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.658 ' HA3' HD12 ' A' ' 96' ' ' LEU . . . -91.39 -122.73 2.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 163.37 101.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.019 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -32.66 98.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 132.38 -16.09 4.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 16.3 p-10 -61.47 -152.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -160.05 119.97 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 43.8 mt -42.01 153.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.844 HD13 ' SG ' ' A' ' 92' ' ' CYS . 10.4 tp 87.7 -52.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.87 -51.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.23 -51.81 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.58 -32.55 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -72.95 -19.72 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -99.06 14.6 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 38' ' ' LEU . 9.9 t30 72.87 20.67 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 35.17 88.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 28.08 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.82 HG21 HG21 ' A' ' 107' ' ' VAL . 19.7 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.74 -47.71 0.96 Allowed 'General case' 0 C--O 1.258 1.515 0 CA-C-O 124.613 2.149 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.5 p -61.46 -1.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.371 -1.455 . . . . 0.0 113.499 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.3 tp10 86.26 -8.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.06 28.91 7.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.6 p -97.0 5.69 49.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 mt 72.78 78.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.11 30.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 54' ' ' THR . 31.9 p -142.54 -46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 108.265 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.434 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 2.7 t 61.97 11.72 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 52' ' ' CYS . 23.1 p -102.09 23.22 11.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.765 ' HG ' ' HG ' ' A' ' 92' ' ' CYS . 10.1 t -103.13 -122.55 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 108.276 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.82 ' C ' HD22 ' A' ' 57' ' ' LEU . 2.4 p80 61.5 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 56' ' ' HIS . 3.5 mm? -141.82 168.51 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 85' ' ' THR . 1.0 OUTLIER -101.68 137.57 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.811 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -105.22 151.38 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB3' ' CG1' ' A' ' 63' ' ' ILE . 5.2 tt0 -64.0 160.28 18.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 27.3 mt-30 -67.97 136.08 53.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 82.4 -6.5 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.755 HD11 ' CE1' ' A' ' 62' ' ' HIS . 19.6 mm -96.92 -49.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.473 ' CE2' ' O ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -55.3 -41.26 72.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.57 -16.32 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.636 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -90.41 -40.68 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.811 HD12 ' CD2' ' A' ' 59' ' ' PHE . 75.2 mt -48.11 148.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.15 166.72 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.92 -177.44 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.758 HD11 ' OE2' ' A' ' 74' ' ' GLU . 1.2 tp -140.01 158.48 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.3 p -81.04 -173.64 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.85 -41.73 35.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -54.49 -56.84 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.758 ' OE2' HD11 ' A' ' 70' ' ' ILE . 8.0 tt0 -62.28 -34.45 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.943 ' HA ' HD23 ' A' ' 78' ' ' LEU . 11.1 t30 -57.07 -37.97 72.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.36 -45.41 80.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 tpp -69.5 -15.46 63.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -88.91 -6.91 56.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.14 -48.93 18.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.9 mm? -44.03 -29.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.578 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -41.84 142.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.1 146.37 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 37.97 45.08 1.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 78' ' ' LEU . 9.1 mt -39.88 107.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 0.814 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.709 HG21 HD13 ' A' ' 58' ' ' ILE . 5.8 p -76.86 -168.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.473 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.7 t0 -90.27 4.34 50.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 3.9 ptp180 -146.09 25.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -106.78 138.77 42.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.858 ' HA ' HD13 ' A' ' 78' ' ' LEU . 6.3 mtp180 -160.11 172.55 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.71 HD22 ' HG3' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -77.29 121.72 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.21 -139.81 10.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.844 ' SG ' HD13 ' A' ' 30' ' ' LEU . 57.5 m 55.5 44.73 26.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.52 -172.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt 43.29 -161.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 m -140.56 155.97 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.885 HD13 HD11 ' A' ' 7' ' ' ILE . 9.9 mt -60.57 152.23 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 1.019 ' HA ' HD12 ' A' ' 25' ' ' ILE . 23.9 p -130.8 166.11 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -60.26 -18.56 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.636 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -84.61 6.68 22.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.626 ' CE ' HG23 ' A' ' 63' ' ' ILE . 24.2 mmt -112.95 11.16 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.7 p-10 -57.48 96.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 t30 81.5 37.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.472 ' O ' ' CG ' ' A' ' 103' ' ' MET . 17.7 ptm -71.24 125.91 28.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 m -99.45 142.12 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.0 m -137.92 163.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.477 ' NH2' HD13 ' A' ' 12' ' ' ILE . 21.5 ttm105 -129.81 150.11 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 40' ' ' ILE . 73.4 t -110.3 98.32 35.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -170.12 136.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.542 HG23 HG23 ' A' ' 25' ' ' ILE . 1.5 pt -111.46 -176.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 m -125.54 112.79 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.775 HG13 ' CG ' ' A' ' 103' ' ' MET . 10.9 t -100.4 143.93 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.561 ' O ' HG22 ' A' ' 105' ' ' VAL . 59.3 m-70 -118.98 138.54 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CD2' ' CG2' ' A' ' 105' ' ' VAL . 45.0 m-85 -127.52 122.99 34.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' VAL . 7.8 mt -91.26 99.72 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -45.46 164.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -72.16 -15.82 61.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -27.99 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.14 1.53 7.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.1 123.96 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 m -88.18 119.93 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 39' ' ' ASP . 6.9 mp -101.02 147.99 25.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 m -121.12 113.65 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -132.77 128.75 37.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -90.4 134.16 34.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 7' ' ' ILE . . . -133.98 135.38 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -76.69 110.28 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.542 HG23 HG23 ' A' ' 7' ' ' ILE . 1.1 pp -36.15 104.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.92 -18.08 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.674 ' OD2' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -85.43 161.49 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.92 129.29 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 96' ' ' LEU . 61.3 mt -47.04 -56.97 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 92' ' ' CYS . 8.9 tp -40.24 -45.76 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.81 -47.37 86.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.674 HG23 ' OD2' ' A' ' 27' ' ' ASP . 57.4 t -53.39 -50.17 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.14 -53.11 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.3 t -57.68 -35.25 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.174 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.25 -21.35 64.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -98.57 15.67 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' LEU . 28.1 t-20 66.71 22.58 10.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER 36.69 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.472 ' HB3' HD21 ' A' ' 19' ' ' LEU . 4.1 t0 -98.64 37.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.563 HG21 HG21 ' A' ' 107' ' ' VAL . 19.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.72 -49.1 2.35 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 124.653 2.168 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.3 p -68.53 3.04 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 120.334 -1.479 . . . . 0.0 113.498 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 5.6 tt0 79.32 -0.85 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.02 26.03 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.5 m -88.89 6.89 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD21 HD13 ' A' ' 90' ' ' LEU . 88.6 mt 68.77 90.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.36 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.217 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -71.12 -45.43 63.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 108.326 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.63 41.04 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.4 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 5.6 p -127.47 -40.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.413 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.7 t -41.38 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 108.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 1.8 p-80 48.71 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 106' ' ' ARG . 0.5 OUTLIER 169.92 169.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 108' ' ' PRO . 3.8 mm -119.78 135.69 59.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.893 ' CD2' HD11 ' A' ' 67' ' ' LEU . 8.6 m-85 -123.74 122.72 38.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' CB ' HD12 ' A' ' 63' ' ' ILE . 3.6 tp10 -38.13 141.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -25.79 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -81.4 -23.61 37.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.559 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' A' ' 60' ' ' GLU . 7.9 mt -94.9 -51.36 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.883 ' HA ' HD12 ' A' ' 67' ' ' LEU . 6.0 t80 -52.17 -39.91 60.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.17 -18.72 61.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -99.48 12.85 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.893 HD11 ' CD2' ' A' ' 59' ' ' PHE . 50.8 mt -96.49 175.53 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -86.59 164.14 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.78 135.28 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.594 HD12 ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -89.29 179.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 70' ' ' ILE . 56.6 p -116.44 179.53 3.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.17 -53.63 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -46.49 -57.75 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.516 ' OE2' HD11 ' A' ' 70' ' ' ILE . 16.7 tt0 -59.98 -44.23 94.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.45 -41.58 20.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.4 tpp -66.04 -25.17 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -82.37 -41.4 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.626 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -44.23 -50.81 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -41.35 -32.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.15 143.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.53 155.2 19.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.26 42.56 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 79' ' ' ASP . 5.3 mt -41.3 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.458 ' CG2' HD12 ' A' ' 58' ' ' ILE . 22.3 p -97.61 178.87 5.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.27 6.03 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -140.12 27.79 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.469 ' OG ' HD22 ' A' ' 84' ' ' LEU . 11.6 p -77.39 160.89 28.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.851 ' HD3' HD13 ' A' ' 67' ' ' LEU . 3.8 ttt-85 175.67 144.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.762 HD22 ' NE2' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -64.44 153.41 38.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.5 ' H ' HD23 ' A' ' 90' ' ' LEU . . . -142.92 50.64 0.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 m -141.19 47.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.762 ' NE2' HD22 ' A' ' 90' ' ' LEU . 1.4 pt20 -176.65 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.8 tp -66.84 152.73 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 11.4 p -108.85 142.31 39.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 29' ' ' LEU . 6.9 mt -52.8 162.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 96' ' ' LEU . 1.1 p -148.2 -167.95 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -83.6 -38.96 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.488 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -56.07 -18.02 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 101' ' ' ASP . 14.1 mmt -78.0 -69.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.668 ' C ' ' O ' ' A' ' 100' ' ' MET . 37.9 p-10 14.43 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 0.8 OUTLIER 82.0 36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.775 ' CG ' HG13 ' A' ' 9' ' ' VAL . 18.1 ptm -80.86 123.09 27.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.5 m -98.74 142.75 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 10' ' ' HIS . 5.1 m -136.85 166.06 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.473 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.4 ttt180 -132.03 150.08 52.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 40' ' ' ILE . 42.9 t -111.37 97.89 37.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.761 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.563 ' CD ' ' O ' ' A' ' 5' ' ' ASP . . . -162.76 141.73 8.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.493 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 100' ' ' MET . 2.5 pt -88.87 170.7 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 99.3 m -109.85 137.46 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.451 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.677 HG12 ' CE1' ' A' ' 11' ' ' PHE . 47.7 t -130.3 144.05 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 35.3 m-70 -123.8 141.59 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.677 ' CE1' HG12 ' A' ' 9' ' ' VAL . 37.7 m-85 -130.13 117.91 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 17' ' ' GLU . 12.9 mt -87.35 108.22 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.43 HD22 HD21 ' A' ' 19' ' ' LEU . 2.2 t-20 -51.33 150.37 3.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -59.91 -14.67 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.81 -29.96 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.49 -0.27 6.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.571 1.169 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 12' ' ' ILE . 4.4 mm-40 -70.62 -171.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -150.88 114.66 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.918 HD23 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -99.16 150.38 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -121.79 126.95 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.9 t -150.03 129.98 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' THR . . . -87.89 135.53 33.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.594 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -94.15 -139.2 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.643 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 176.51 82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.643 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -18.96 95.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 138.23 -11.9 3.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . 6.5 t70 -104.98 150.25 25.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.667 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.66 -171.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 91' ' ' GLY . 2.5 mt -96.72 -48.93 5.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.026 HD22 ' SG ' ' A' ' 92' ' ' CYS . 0.9 OUTLIER -51.01 -48.68 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -54.18 -44.61 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 28' ' ' SER . 78.4 t -58.84 -50.83 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.869 HG22 HD21 ' A' ' 38' ' ' LEU . 3.7 t -55.12 -43.27 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.12 -34.32 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.8 mm-40 -68.89 -32.86 72.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -81.22 -14.45 57.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 29.34 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.979 HD13 HD12 ' A' ' 40' ' ' ILE . 4.2 pp -64.67 158.73 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -113.66 72.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.979 HD12 HD13 ' A' ' 38' ' ' LEU . 22.0 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.483 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.46 -56.05 2.45 Favored 'General case' 0 C--O 1.257 1.485 0 CA-C-O 124.672 2.177 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 12.7 p -68.33 -0.55 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.372 -1.455 . . . . 0.0 113.44 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 2.5 tt0 88.0 -17.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' HA3' ' SG ' ' A' ' 92' ' ' CYS . . . 107.52 26.26 5.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 64.6 p -96.31 15.93 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 15.3 mt 67.28 97.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 179.92 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.41 -160.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -159.88 25.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.6 p -119.35 48.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.45 87.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.488 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -145.64 127.82 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.77 HD12 HG23 ' A' ' 105' ' ' VAL . 2.3 mm? -127.57 133.59 49.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.875 HD13 HG21 ' A' ' 85' ' ' THR . 0.5 OUTLIER -92.45 108.55 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 59.7 m-85 -82.0 -169.73 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -104.82 159.76 15.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.233 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.1 tt0 -67.67 74.29 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER 163.95 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.553 HG23 ' CE ' ' A' ' 100' ' ' MET . 28.4 mm -86.61 -49.33 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -53.48 -40.51 65.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -11.95 61.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . . . -92.58 -22.57 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.585 HD11 ' CZ ' ' A' ' 59' ' ' PHE . 93.1 mt -60.01 161.54 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.56 159.77 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.51 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.35 153.07 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -83.34 179.92 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.03 -46.65 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.34 -58.11 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' OE2' ' OE1' ' A' ' 93' ' ' GLN . 4.4 tt0 -59.15 -42.6 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -46.89 -48.54 21.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.27 -58.01 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.2 -35.63 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.84 -38.73 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.594 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -50.8 -45.32 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.82 -24.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.07 149.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -87.25 146.55 25.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 35.53 49.93 0.99 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -39.29 116.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.875 HG21 HD13 ' A' ' 58' ' ' ILE . 6.9 p -88.71 -169.53 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.478 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.71 3.58 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 7.3 ptp180 -145.96 26.54 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.93 134.24 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 78' ' ' LEU . 1.3 tpp180 -159.41 146.76 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.77 HD23 ' H ' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -39.27 147.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.442 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -104.37 -30.55 4.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 1.026 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -76.33 171.72 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' OE1' ' OE2' ' A' ' 74' ' ' GLU . 3.0 mt-30 72.54 -67.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 pt -59.92 127.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -87.44 160.98 18.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 108.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.594 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 30.0 mt -63.68 165.88 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.633 ' HA ' HD13 ' A' ' 25' ' ' ILE . 34.8 p -150.91 160.31 43.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -56.29 -21.67 25.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.26 -2.1 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.553 ' CE ' HG23 ' A' ' 63' ' ' ILE . 25.0 mmt -108.3 21.79 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -66.02 99.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.9 OUTLIER 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -75.17 152.55 38.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.3 m -116.16 138.9 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.77 HG23 HD12 ' A' ' 57' ' ' LEU . 1.3 m -139.47 157.3 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -123.79 151.18 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 40' ' ' ILE . 24.5 t -106.12 103.75 46.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.488 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -169.88 134.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.571 ' HB ' ' HA ' ' A' ' 101' ' ' ASP . 0.9 OUTLIER -97.73 -178.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.237 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ASN . 61.6 m -119.34 136.57 54.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.691 HG12 ' CE1' ' A' ' 11' ' ' PHE . 89.9 t -130.48 139.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.633 ' CE1' HG23 ' A' ' 20' ' ' THR . 95.7 m-70 -119.22 144.9 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.691 ' CE1' HG12 ' A' ' 9' ' ' VAL . 28.7 m-85 -129.47 131.98 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' VAL . 13.0 mt -100.43 96.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 2.8 t-20 -54.35 144.12 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.52 -22.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.83 -34.79 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.201 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.02 -10.46 7.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 3.5 pt-20 -77.73 150.06 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.437 ' C ' HD13 ' A' ' 19' ' ' LEU . 2.2 m -110.13 125.99 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -98.42 155.42 17.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.633 HG23 ' CE1' ' A' ' 10' ' ' HIS . 19.4 m -123.25 116.52 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 9' ' ' VAL . 5.1 t -130.58 174.38 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -137.66 139.62 40.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -139.49 145.44 16.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -82.48 110.88 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.484 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 1.3 tt -36.26 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 134.53 -7.04 4.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -104.29 147.81 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 0.728 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -69.99 155.31 40.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.043 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 96' ' ' LEU . 10.6 mt -71.74 -44.23 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.02 HD21 ' HA3' ' A' ' 44' ' ' GLY . 7.9 mp -49.03 -47.8 44.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -58.83 -45.87 89.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' SER . 89.9 t -55.86 -56.37 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.635 1.21 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . 21.8 t -52.42 -60.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.5 -42.97 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.5 mm-40 -65.24 -26.76 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.527 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -102.73 7.11 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 43.85 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.853 HD12 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -60.22 127.15 30.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.8 83.69 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.105 HG21 HG21 ' A' ' 107' ' ' VAL . 23.8 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 1.02 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.074 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.45 -49.75 1.4 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-O 124.722 2.201 . . . . 0.0 109.389 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.9 p -67.56 -0.77 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.337 -1.477 . . . . 0.0 113.402 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.4 tp10 85.13 -6.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.251 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.3 25.57 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 31.0 p -94.45 7.18 46.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD21 ' NE2' ' A' ' 93' ' ' GLN . 66.9 mt 72.4 79.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -176.19 31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 53' ' ' SER . 32.1 p -144.84 -45.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 69.56 6.15 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 43.7 p -117.93 63.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.0 p -155.3 32.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 108' ' ' PRO . 17.7 p-80 -96.3 131.86 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.692 HD22 ' CG2' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -122.36 172.7 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.809 HD13 HG21 ' A' ' 85' ' ' THR . 0.7 OUTLIER -119.72 109.48 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.863 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -83.29 130.9 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.1 mt-10 -35.78 152.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 3.1 mt-30 -67.68 79.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER 160.25 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.482 HG21 ' SD ' ' A' ' 100' ' ' MET . 3.4 mt -77.42 -48.97 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 6.3 t80 -57.18 -39.31 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -12.29 31.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 67' ' ' LEU . . . -101.19 -51.63 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.863 HD12 ' CD2' ' A' ' 59' ' ' PHE . 14.8 mt -42.21 163.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.44 -173.22 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.41 -169.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.44 153.21 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -82.95 -175.48 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.4 -57.87 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -43.17 -51.15 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' OE2' ' NE2' ' A' ' 93' ' ' GLN . 41.0 mt-10 -67.28 -35.23 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.32 -31.97 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.63 -58.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.74 -42.88 19.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -42.6 -49.03 5.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -39.99 -30.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.661 ' HB3' ' HG ' ' A' ' 84' ' ' LEU . . . -37.56 136.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.423 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -85.28 151.53 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 36.79 42.11 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.661 ' HG ' ' HB3' ' A' ' 81' ' ' ALA . 4.2 mt -43.41 127.04 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.809 HG21 HD13 ' A' ' 58' ' ' ILE . 5.7 p -101.5 -169.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.51 13.19 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.505 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 1.3 ptp85 -150.58 29.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.462 ' OG ' HG23 ' A' ' 58' ' ' ILE . 58.3 m -113.89 132.97 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 7.7 ttp-105 -168.45 87.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.883 HD12 ' CD ' ' A' ' 93' ' ' GLN . 0.5 OUTLIER 46.57 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.65 -44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.871 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -57.39 -63.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.883 ' CD ' HD12 ' A' ' 90' ' ' LEU . 44.7 mt-30 -31.87 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -40.8 135.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.1 p -106.06 164.88 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 29' ' ' LEU . 2.4 mt -61.06 145.1 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.403 ' C ' HD12 ' A' ' 25' ' ' ILE . 30.3 p -140.74 179.33 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.484 ' HG3' ' CD1' ' A' ' 25' ' ' ILE . . . -77.58 -18.17 57.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.59 6.02 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.693 ' O ' ' C ' ' A' ' 101' ' ' ASP . 5.6 mmt -108.72 -51.91 2.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -5.24 101.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.8 t-20 79.85 32.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -78.16 150.87 33.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.2 m -117.92 133.22 56.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.692 ' CG2' HD22 ' A' ' 57' ' ' LEU . 2.2 m -132.28 155.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -118.18 150.9 38.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 1.105 HG21 HG21 ' A' ' 40' ' ' ILE . 40.9 t -107.23 108.25 61.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.412 1.743 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 6' ' ' LYS . . . -177.42 117.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.852 HD12 ' N ' ' A' ' 101' ' ' ASP . 3.5 pt -110.68 -176.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.806 HG12 ' CE1' ' A' ' 11' ' ' PHE . 60.9 t -130.3 119.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.615 ' CE1' HG23 ' A' ' 20' ' ' THR . 65.7 m-70 -95.86 145.37 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.548 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.806 ' CE1' HG12 ' A' ' 9' ' ' VAL . 13.4 m-85 -129.6 122.05 28.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 104' ' ' THR . 7.6 mt -91.9 97.06 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.726 ' OD1' HG23 ' A' ' 40' ' ' ILE . 3.2 t-20 -55.17 145.25 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.39 -22.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -34.78 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.06 -10.23 8.35 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -79.49 151.99 30.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -104.58 125.32 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.509 HD22 ' CG1' ' A' ' 40' ' ' ILE . 10.4 mp -101.38 153.68 19.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.615 HG23 ' CE1' ' A' ' 10' ' ' HIS . 21.8 m -117.75 135.69 53.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 11' ' ' PHE . 11.5 t -165.35 129.54 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -76.84 148.11 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -105.58 -107.39 3.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.44 92.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -32.81 97.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 129.99 -14.72 5.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 32' ' ' VAL . 48.9 t0 -81.98 156.26 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.75 -84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.024 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' SER . 1.7 mt 168.1 -51.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.838 HD21 ' SG ' ' A' ' 55' ' ' CYS . 3.5 mp -56.3 -44.69 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -53.63 -42.25 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 83.0 t -57.05 -32.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' CE2' ' A' ' 11' ' ' PHE . 22.1 t -77.5 -36.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -53.34 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.69 -11.42 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -93.75 -5.84 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 31.8 t30 84.11 20.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 36.95 75.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -98.25 37.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.058 HG21 HG21 ' A' ' 107' ' ' VAL . 84.2 mt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.55 -47.22 0.04 OUTLIER 'General case' 0 C--O 1.258 1.536 0 CA-C-O 124.679 2.181 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.7 p -67.6 0.18 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.339 -1.475 . . . . 0.0 113.445 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 15.1 tt0 88.3 -18.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' SG ' ' A' ' 92' ' ' CYS . . . 104.11 75.5 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 p -145.83 11.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD13 ' HG2' ' A' ' 73' ' ' GLU . 35.1 mt 69.08 79.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.82 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.412 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 24.9 p -69.02 -45.69 69.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t 60.02 59.08 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.4 p -146.34 -45.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.838 ' SG ' HD21 ' A' ' 30' ' ' LEU . 3.0 t -50.23 124.59 10.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.775 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -164.93 138.02 4.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.626 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 56' ' ' HIS . 3.5 mm? -135.59 144.61 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.808 HD11 ' HG3' ' A' ' 108' ' ' PRO . 3.6 mm -98.8 109.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.968 ' CD2' HD11 ' A' ' 67' ' ' LEU . 30.2 m-85 -91.38 131.8 36.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.2 mt-10 -32.61 143.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.432 ' CA ' ' HD3' ' A' ' 87' ' ' ARG . 4.0 pt20 -56.09 -15.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -99.16 -38.7 8.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 33.3 mm -71.76 -46.41 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.795 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.9 t80 -49.63 -35.96 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.93 -18.33 59.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -88.82 -4.74 58.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.968 HD11 ' CD2' ' A' ' 59' ' ' PHE . 54.5 mt -83.0 172.32 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 89' ' ' ARG . 3.9 mm-40 -92.71 169.31 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.215 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.87 175.45 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.538 HD13 HH21 ' A' ' 89' ' ' ARG . 1.6 tp -147.43 164.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 70' ' ' ILE . 23.7 p -75.95 -177.46 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.13 -34.25 29.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG2' HD13 ' A' ' 50' ' ' LEU . 14.3 tt0 -51.37 -52.63 44.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -41.92 85.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -48.39 -31.59 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.5 -41.48 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.2 tpp -65.61 -23.05 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -94.14 -15.64 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.829 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -62.64 -52.13 64.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -47.54 -28.81 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -40.26 153.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.93 148.27 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.38 49.83 2.29 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.155 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.829 HD11 ' HA ' ' A' ' 79' ' ' ASP . 5.4 mt -41.33 116.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.417 ' CG2' HD12 ' A' ' 58' ' ' ILE . 3.4 p -89.43 163.54 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.449 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.51 -18.03 62.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.446 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -121.85 31.0 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 t -84.46 170.11 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.068 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.644 ' HD2' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -175.3 154.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.88 -113.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.12 -52.3 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.642 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.08 72.45 10.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' CYS . 1.5 mt-30 166.77 51.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -174.1 123.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.25 143.72 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 12.1 mt -69.36 163.51 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.808 ' HA ' HD12 ' A' ' 25' ' ' ILE . 21.8 p -149.71 -179.37 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -74.31 -27.38 60.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.92 -4.79 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.624 ' O ' ' C ' ' A' ' 101' ' ' ASP . 16.3 mmt -100.75 -53.71 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.852 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.3 t70 -19.88 108.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.599 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 13.4 t-20 90.14 20.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -80.37 148.96 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 12' ' ' ILE . 2.6 m -116.13 133.19 56.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -129.9 159.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 43.5 ttt180 -120.26 150.91 39.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 1.058 HG21 HG21 ' A' ' 40' ' ' ILE . 59.0 t -111.12 97.65 35.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.808 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 6' ' ' LYS . . . -173.86 136.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 pt -108.48 -178.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 26.5 m -117.55 135.82 53.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.717 HG12 ' CE1' ' A' ' 11' ' ' PHE . 32.0 t -130.89 137.59 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.504 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.8 m-70 -113.47 143.49 44.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.717 ' CE1' HG12 ' A' ' 9' ' ' VAL . 34.4 m-85 -133.88 124.46 26.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' A' ' 106' ' ' ARG . 8.3 mt -92.45 100.89 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.2 t-20 -56.37 140.35 45.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -46.67 -26.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -36.3 82.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' ASN . . . 128.61 -13.29 6.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 8.2 pt-20 -76.66 157.78 31.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.752 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -113.38 127.15 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -99.88 145.92 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.504 HG23 ' CE1' ' A' ' 10' ' ' HIS . 17.4 m -119.1 112.84 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -129.2 167.58 17.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -129.19 127.97 42.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.622 ' HA3' HD12 ' A' ' 96' ' ' LEU . . . -122.9 148.35 16.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -94.82 109.08 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 98' ' ' LYS . 1.2 tt -34.59 99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 135.74 -12.42 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -94.53 134.79 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.1 m -53.97 100.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.43 -24.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -66.2 -34.06 77.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' SER . 6.2 m-20 -81.27 -35.39 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 29' ' ' LEU . 42.2 t -39.45 -47.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 t -68.8 -46.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' ASP . 57.2 t -55.53 -45.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.0 -32.19 73.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.73 -23.97 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t30 64.71 45.54 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.484 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -94.03 157.75 15.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 80.35 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.789 ' CG2' HG21 ' A' ' 107' ' ' VAL . 18.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.07 -56.57 8.4 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-O 124.684 2.183 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 20.3 p -70.6 2.03 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 120.271 -1.518 . . . . 0.0 113.452 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 4.4 tt0 84.18 -12.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OE1' ' A' ' 93' ' ' GLN . . . 104.79 33.05 3.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -100.57 -0.26 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.446 0.733 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.514 HD13 ' HG2' ' A' ' 73' ' ' GLU . 20.0 mt 81.66 77.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.84 18.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 p -132.13 -22.84 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB2' ' CE ' ' A' ' 77' ' ' MET . 4.8 t 46.98 29.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -142.38 84.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.33 48.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.631 ' CE1' ' HA ' ' A' ' 81' ' ' ALA . 2.3 p-80 -110.67 151.36 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -146.22 168.37 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.728 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.4 mm -105.49 108.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.732 ' CD2' HD11 ' A' ' 67' ' ' LEU . 61.1 m-85 -97.02 126.9 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.761 ' CB ' HD12 ' A' ' 63' ' ' ILE . 3.3 tt0 -36.13 146.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -57.82 -19.57 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -16.34 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.761 HD12 ' CB ' ' A' ' 60' ' ' GLU . 12.2 mt -98.93 -51.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.626 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.8 t80 -49.88 -40.44 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -17.63 60.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.675 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -89.9 -14.53 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.732 HD11 ' CD2' ' A' ' 59' ' ' PHE . 72.6 mt -77.5 163.34 26.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -71.47 159.84 33.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.394 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 170.6 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.432 HG12 ' CB ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -125.56 175.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -121.03 179.79 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.456 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.54 -56.37 22.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG2' HD13 ' A' ' 50' ' ' LEU . 14.4 tt0 -45.11 -55.84 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.507 ' OE1' HD23 ' A' ' 90' ' ' LEU . 18.9 mt-10 -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -58.41 -29.78 66.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.25 -52.76 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 53' ' ' SER . 0.4 OUTLIER -65.92 -8.39 22.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -107.45 -35.6 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.602 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.46 -44.71 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.63 -21.37 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HA ' ' CE1' ' A' ' 56' ' ' HIS . . . -41.08 156.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.79 125.33 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.01 -47.13 3.63 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER 45.51 78.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.713 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.505 ' CG2' HD12 ' A' ' 58' ' ' ILE . 27.8 p -63.13 -173.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.9 12.42 13.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.4 27.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.481 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -101.54 154.19 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.541 ' HD2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.86 154.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.777 HD21 ' SG ' ' A' ' 92' ' ' CYS . 41.5 tp -46.2 146.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.475 ' O ' HD21 ' A' ' 29' ' ' LEU . . . -131.32 47.84 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.777 ' SG ' HD21 ' A' ' 90' ' ' LEU . 7.3 p -131.07 -175.89 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 92' ' ' CYS . 10.8 pt20 31.06 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.228 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 8.6 mm -138.61 154.17 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.34 134.76 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.632 HD11 HG21 ' A' ' 9' ' ' VAL . 9.7 mt -44.42 159.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.492 ' C ' HD12 ' A' ' 25' ' ' ILE . 39.9 p -134.36 -173.48 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -87.87 7.24 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.675 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -110.76 2.9 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.632 ' CE ' HG23 ' A' ' 63' ' ' ILE . 31.3 mmt -106.44 0.86 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -48.69 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.6 t-20 64.66 44.55 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.624 ' HG3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -85.62 153.15 22.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -119.05 139.36 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 10' ' ' HIS . 3.4 m -137.7 153.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 42.2 ttt85 -120.42 149.44 42.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.789 HG21 ' CG2' ' A' ' 40' ' ' ILE . 8.9 t -111.4 99.17 43.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.728 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -174.94 150.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.848 HD11 HD13 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -122.85 165.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 53.5 m -109.85 118.35 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.604 HG13 ' HE3' ' A' ' 103' ' ' MET . 23.1 t -109.97 137.97 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.722 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.2 m-70 -121.57 144.23 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.684 ' O ' HD22 ' A' ' 19' ' ' LEU . 56.4 m-85 -130.82 126.36 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.082 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 mt -90.4 101.04 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -58.31 146.04 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -49.9 -28.64 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -30.03 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.32 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' ASN . 8.5 pt-20 -75.55 156.42 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.4 m -113.54 128.59 56.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -95.28 157.16 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.722 HG23 ' CE1' ' A' ' 10' ' ' HIS . 28.7 m -126.51 117.93 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -146.38 124.94 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' THR . . . -81.62 138.22 35.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.675 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -100.0 -134.87 8.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.675 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 177.05 83.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.675 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -14.51 109.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.27 -12.75 31.11 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 28' ' ' SER . 56.1 t0 -82.88 156.11 23.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.468 ' C ' ' N ' ' A' ' 30' ' ' LEU . 42.1 m -80.52 90.66 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.934 HD21 ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -38.19 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.924 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -64.1 -56.73 12.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.2 m-20 -56.82 -44.13 81.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' OD2' ' A' ' 27' ' ' ASP . 34.0 t -39.94 -52.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.1 t -47.37 -65.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.93 -40.56 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -101.65 -1.32 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 64.33 28.23 13.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -72.05 128.83 36.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 83.03 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.947 ' CG2' HG11 ' A' ' 107' ' ' VAL . 26.4 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.787 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 52' ' ' CYS . . . -92.57 -29.67 16.05 Favored 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.626 2.155 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 17.0 p -94.01 6.86 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 120.378 -1.451 . . . . 0.0 113.541 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 73.73 4.28 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA3' ' CB ' ' A' ' 92' ' ' CYS . . . 87.54 28.94 23.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 37.1 p -95.97 9.22 41.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' THR . 94.9 mt 70.53 89.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . -166.71 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.539 ' O ' ' CB ' ' A' ' 53' ' ' SER . 9.8 p -69.23 -47.37 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 0.0 108.263 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 88.28 -17.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 56' ' ' HIS . 2.3 p -88.06 -109.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.2 p 44.32 28.79 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -71.77 162.17 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 105' ' ' VAL . 7.5 tp -168.61 159.27 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.552 HD12 ' CG2' ' A' ' 85' ' ' THR . 1.5 mm -116.54 115.93 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.653 ' CE2' HD21 ' A' ' 67' ' ' LEU . 6.2 m-85 -91.56 129.36 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PHE . 12.1 mt-10 -33.61 146.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.2 pm0 -64.93 73.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 168.94 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.81 HG21 ' SD ' ' A' ' 100' ' ' MET . 9.3 mm -81.35 -43.1 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 11.5 t80 -53.06 -40.96 64.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.38 -2.84 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . . . -100.72 -34.21 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.653 HD21 ' CE2' ' A' ' 59' ' ' PHE . 31.1 mt -43.51 158.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.77 138.09 55.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.06 134.61 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.405 HD11 ' N ' ' A' ' 75' ' ' ASN . 5.0 tt -84.94 118.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -53.69 -51.01 64.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' THR . 0.8 OUTLIER 153.26 -51.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 4.1 tt0 -51.28 -46.91 62.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.41 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' N ' HD11 ' A' ' 70' ' ' ILE . 11.6 t-20 -67.34 -32.71 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.09 -41.16 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 tpt -71.89 -17.96 62.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.657 ' HG ' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -84.69 -34.8 22.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.687 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -42.42 -47.61 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -44.49 -39.18 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -38.71 140.75 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.73 136.95 32.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.32 -48.03 3.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 79' ' ' ASP . 6.8 mt 45.42 81.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.552 ' CG2' HD12 ' A' ' 58' ' ' ILE . 74.4 p -64.55 -170.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.64 16.37 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 9.1 ptp180 -150.0 25.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 85' ' ' THR . 6.6 m -78.04 158.82 29.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.607 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.7 OUTLIER 178.91 136.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 93' ' ' GLN . 2.1 tp -39.5 150.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.934 ' O ' HD21 ' A' ' 29' ' ' LEU . . . -89.11 -43.72 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.876 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.6 -163.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.592 ' HB2' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER 73.26 -63.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.94 153.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.58 153.89 23.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.848 HD13 HD11 ' A' ' 7' ' ' ILE . 17.6 mt -51.39 170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.529 ' HA ' HD13 ' A' ' 25' ' ' ILE . 29.0 p -145.7 174.58 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -78.4 -13.56 59.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.39 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.81 ' SD ' HG21 ' A' ' 63' ' ' ILE . 3.8 mmt -112.49 6.14 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.532 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 9.6 t0 -58.77 99.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' THR . 5.4 t-20 81.63 34.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.604 ' HE3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 150.25 35.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -118.13 132.83 56.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 57' ' ' LEU . 2.8 m -134.71 150.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -112.62 151.13 30.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.947 HG11 ' CG2' ' A' ' 40' ' ' ILE . 44.6 t -105.85 105.92 54.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -175.88 125.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 2.6 pt -123.91 172.9 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 m -102.99 127.34 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.927 HG12 ' CE1' ' A' ' 11' ' ' PHE . 60.5 t -130.02 123.68 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.568 ' O ' HG22 ' A' ' 105' ' ' VAL . 98.6 m-70 -99.62 144.21 28.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.927 ' CE1' HG12 ' A' ' 9' ' ' VAL . 43.8 m-85 -134.07 118.7 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' ' 106' ' ' ARG . 8.1 mt -87.09 104.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' GLU . 1.4 t30 -56.25 166.86 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -69.89 -19.12 63.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -26.24 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.73 -9.94 12.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ASN . 5.4 pt-20 -77.11 148.95 35.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 0.813 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -104.11 125.5 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 40' ' ' ILE . 6.1 mp -97.27 150.52 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.503 HG23 ' CE1' ' A' ' 10' ' ' HIS . 76.0 m -125.71 125.65 43.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 32' ' ' VAL . 6.9 t -152.25 143.36 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.446 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -71.95 -178.52 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' ILE . . . -142.42 -137.53 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.669 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 171.47 69.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.799 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -13.96 90.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 136.21 -19.06 3.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -84.84 146.08 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.5 m -67.65 162.98 22.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.32 -41.8 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -59.9 -24.67 64.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.54 -50.69 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 28' ' ' SER . 73.4 t -48.9 -31.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.0 -49.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.7 t -60.08 -30.78 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -83.06 -16.06 48.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 26.5 t-20 -93.13 11.5 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 14.8 t-20 82.29 18.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER 33.15 86.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.717 HG21 HG21 ' A' ' 107' ' ' VAL . 81.2 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.95 -28.56 12.32 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 124.673 2.178 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.1 p -91.72 1.13 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.332 -1.48 . . . . 0.0 113.486 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 0.7 OUTLIER 83.27 -6.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.051 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.35 27.78 9.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.0 p -97.48 10.1 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt 70.0 80.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.31 31.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 53' ' ' SER . 30.6 p -145.01 -46.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 73.02 1.11 3.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -113.59 71.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 7.0 p -161.64 32.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -88.53 155.57 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.84 HD21 HG22 ' A' ' 107' ' ' VAL . 17.9 mt -152.98 150.68 29.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.718 HG23 ' OG1' ' A' ' 85' ' ' THR . 2.2 mm -97.54 109.2 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 67' ' ' LEU . 51.6 m-85 -99.91 126.71 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' CB ' HG13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -38.18 145.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.52 -20.98 14.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -19.25 27.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' A' ' 103' ' ' MET . 3.2 mt -97.68 -51.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 67' ' ' LEU . 23.2 t80 -53.33 -38.74 63.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.73 -17.57 64.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.692 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -94.62 -30.82 14.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.831 HD11 ' CD2' ' A' ' 59' ' ' PHE . 70.6 mt -57.63 160.98 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 54.1 mm-40 -73.14 158.48 35.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.4 169.34 14.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.426 HD11 ' HG2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -118.47 160.45 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 p -101.51 179.41 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.77 -58.9 5.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -46.54 -53.36 11.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' A' ' 90' ' ' LEU . 6.4 tt0 -62.01 -39.69 93.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -52.89 -41.9 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.01 -46.91 85.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.43 -27.46 69.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -77.67 -42.1 35.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.471 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -42.22 -51.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -39.38 -35.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -44.11 134.25 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -84.89 155.16 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 36.13 40.28 0.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 81' ' ' ALA . 7.2 mt -38.73 117.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.718 ' OG1' HG23 ' A' ' 58' ' ' ILE . 23.7 p -87.47 156.51 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -55.35 -28.01 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 2.5 ptp180 -110.94 40.42 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.524 ' OG ' HD23 ' A' ' 84' ' ' LEU . 11.2 t -104.45 164.97 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' A' ' 78' ' ' LEU . 39.1 ttm180 173.47 135.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 74' ' ' GLU . 3.4 tp -46.13 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 92' ' ' CYS . . . 117.85 -119.06 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.6 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.7 p 49.66 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' A' ' 92' ' ' CYS . 11.5 pt20 30.57 41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -123.58 -170.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 94' ' ' ILE . 2.2 p -145.54 141.0 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 7' ' ' ILE . 14.1 mt -63.74 171.3 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.697 ' HA ' HD12 ' A' ' 25' ' ' ILE . 34.6 p -156.9 178.81 9.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.489 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -72.42 -23.65 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.692 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -75.15 -3.97 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.396 1.06 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.608 ' HE1' HG23 ' A' ' 63' ' ' ILE . 27.5 mmt -110.92 15.21 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.627 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 24.2 p-10 -71.13 89.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.5 p-10 92.87 31.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.617 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -77.89 150.96 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 111.08 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.7 m -119.17 137.48 53.59 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 57' ' ' LEU . 5.5 m -132.47 158.06 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.654 ' O ' HD23 ' A' ' 57' ' ' LEU . 66.9 ttt180 -126.1 147.93 49.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.84 HG22 HD21 ' A' ' 57' ' ' LEU . 38.8 t -105.66 104.07 46.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.643 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.553 1.818 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 6' ' ' LYS . . . -177.97 114.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 100' ' ' MET . 5.2 pt -109.77 -176.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 55.5 m -112.19 131.92 55.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 96' ' ' LEU . 40.7 t -129.98 138.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.703 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.5 m-70 -116.33 143.97 44.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.545 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' CE1' HG12 ' A' ' 9' ' ' VAL . 29.6 m-85 -132.28 122.5 25.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' VAL . 12.6 mt -89.73 100.15 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -45.53 169.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HG2' HG12 ' A' ' 107' ' ' VAL . 49.5 mtp180 -71.51 -23.63 61.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -28.13 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.66 2.69 8.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.65 124.67 28.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 m -86.23 118.65 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 6.6 mp -99.56 148.87 23.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.703 HG23 ' CE1' ' A' ' 10' ' ' HIS . 31.6 m -120.47 131.27 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.467 HG21 HG12 ' A' ' 32' ' ' VAL . 5.2 t -158.31 136.9 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.372 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -80.34 149.09 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.614 ' CA ' HD13 ' A' ' 96' ' ' LEU . . . -126.41 139.77 11.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -93.25 89.5 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -24.06 97.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 128.48 -29.73 3.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.39 157.64 36.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -74.98 97.95 3.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -45.26 -26.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.839 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.72 -43.39 93.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' SER . 89.5 m-20 -71.47 -39.52 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.49 HG21 HD11 ' A' ' 96' ' ' LEU . 55.4 t -38.97 -35.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 38' ' ' LEU . 71.1 t -62.22 -73.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 t -51.35 -42.18 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -45.96 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.565 ' HB3' HD13 ' A' ' 38' ' ' LEU . 2.1 t-20 -93.35 24.04 4.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.54 33.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HB3' HG13 ' A' ' 33' ' ' VAL . 1.1 mp -43.48 151.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.76 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.568 HD12 HD23 ' A' ' 38' ' ' LEU . 15.6 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.712 ' N ' ' HG ' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 44' ' ' GLY . . . 163.59 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.258 1.533 0 CA-C-O 124.616 2.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' HG ' ' H ' ' A' ' 52' ' ' CYS . 11.7 p -91.95 11.09 26.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.34 -1.475 . . . . 0.0 113.449 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 69.91 5.24 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 92' ' ' CYS . . . 83.44 92.21 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 49' ' ' THR . 1.3 m -168.86 23.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 77' ' ' MET . 28.9 mt 58.07 84.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.78 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.443 ' H ' ' HG ' ' A' ' 46' ' ' CYS . 18.9 p -74.49 -46.87 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 54' ' ' THR . 32.2 t 63.41 63.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -157.61 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.712 ' HG ' ' N ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -62.81 130.91 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.632 ' C ' HD22 ' A' ' 57' ' ' LEU . 11.8 t-80 -170.96 140.37 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.762 HD11 HG22 ' A' ' 107' ' ' VAL . 3.2 mm? -136.44 142.13 43.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.8 mm -94.92 115.62 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CG ' HD11 ' A' ' 67' ' ' LEU . 51.4 m-85 -85.85 122.9 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' PHE . 34.5 mt-10 -34.09 149.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 6.9 pt20 -65.65 75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER 172.14 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.798 HG21 ' SD ' ' A' ' 100' ' ' MET . 17.7 mm -83.49 -44.44 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' HA ' HD12 ' A' ' 67' ' ' LEU . 5.3 t80 -52.65 -31.97 39.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 6.4 pt-20 -78.08 -4.3 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ILE . . . -104.57 -23.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.695 HD11 ' CG ' ' A' ' 59' ' ' PHE . 36.3 mt -62.48 157.05 21.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.16 159.35 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.95 127.98 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.785 HD11 ' OE2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -78.97 160.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.0 p -102.02 179.52 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -60.1 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' A' ' 50' ' ' LEU . 12.7 tt0 -44.96 -51.3 9.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.785 ' OE2' HD11 ' A' ' 70' ' ' ILE . 54.6 tt0 -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ASP . 63.3 t30 -52.01 -40.69 61.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.37 -51.5 69.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.524 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 8.1 tpp -62.3 -14.95 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -100.19 -25.77 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.511 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -69.68 -54.78 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.4 mp -57.18 -20.26 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -40.36 156.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 121.85 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.01 3.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.516 HD23 ' OG ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 41.33 82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.729 ' OG1' HG23 ' A' ' 58' ' ' ILE . 40.4 p -67.5 178.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -78.79 -10.34 59.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.681 ' CG ' HG22 ' A' ' 58' ' ' ILE . 5.5 ptp180 -125.83 17.22 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.516 ' OG ' HD23 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -74.74 129.16 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' NH1' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.42 53.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HA ' ' CG ' ' A' ' 56' ' ' HIS . 3.3 tt 38.84 -108.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.483 ' O ' HD21 ' A' ' 29' ' ' LEU . . . 127.1 51.02 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.096 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.526 ' CB ' HD13 ' A' ' 30' ' ' LEU . 5.8 p -135.96 11.97 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.74 8.71 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 30.5 mm -122.76 143.86 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' HG23 ' A' ' 97' ' ' THR . 10.5 p -106.46 141.82 37.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.328 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -41.34 158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 95' ' ' CYS . 33.5 p -144.2 176.57 9.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.671 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -75.35 -27.19 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.12 -4.94 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.798 ' SD ' HG21 ' A' ' 63' ' ' ILE . 4.4 mmt -100.73 12.58 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.83 100.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.0 OUTLIER 74.18 41.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.427 ' CG ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -80.91 155.05 26.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 m -121.24 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.722 HG23 HD12 ' A' ' 57' ' ' LEU . 2.5 m -134.44 164.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 ttt-85 -124.24 150.12 45.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.762 HG22 HD11 ' A' ' 57' ' ' LEU . 47.2 t -106.22 103.89 47.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.826 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 t0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -178.16 135.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 100' ' ' MET . 4.0 pt -104.45 178.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 26.8 m -112.45 132.74 54.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.699 HG12 ' CE1' ' A' ' 11' ' ' PHE . 41.6 t -127.29 136.25 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -110.58 138.89 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CE1' HG12 ' A' ' 9' ' ' VAL . 41.1 m-85 -129.36 121.69 27.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.4 mt -92.08 106.22 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.14 150.15 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -55.36 -22.76 20.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -35.39 80.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.15 -15.01 5.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.71 165.27 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -122.13 122.84 40.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 145.32 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -116.24 113.9 23.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -129.33 172.29 11.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -130.51 133.3 46.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -98.39 -145.65 19.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.676 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -176.26 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -13.0 92.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 142.25 -21.73 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 24' ' ' LYS . 9.8 t70 -96.07 151.25 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.862 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.1 t -69.4 177.73 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 96' ' ' LEU . 10.7 mt -99.11 -39.48 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 92' ' ' CYS . 3.1 tp -59.77 -28.82 67.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.05 -42.2 26.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 28' ' ' SER . 96.8 t -51.88 -33.08 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -75.7 -51.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.1 t -57.78 -27.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -83.91 -15.29 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -97.7 16.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.7 t30 77.97 12.23 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 36.4 76.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.96 31.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.596 HD13 HG21 ' A' ' 107' ' ' VAL . 31.0 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 55' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 52' ' ' CYS . . . -100.22 -28.83 12.8 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 124.683 2.183 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.481 ' HG ' ' HG ' ' A' ' 52' ' ' CYS . 9.6 p -91.85 3.99 53.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.271 -1.518 . . . . 0.0 113.498 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 76.8 3.19 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.24 91.29 1.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.446 HG22 ' SG ' ' A' ' 46' ' ' CYS . 13.5 t -169.69 25.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 74' ' ' GLU . 24.1 mt 53.73 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.87 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 21.0 p -75.63 -47.57 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.373 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 p 69.35 6.18 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.8 p -111.27 30.58 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 44' ' ' GLY . 5.7 p -122.5 18.14 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.2 OUTLIER -59.46 161.08 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' C ' HD13 ' A' ' 58' ' ' ILE . 92.9 mt -152.68 158.4 42.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.87 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.4 mm -112.66 107.63 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 47.0 m-85 -93.38 129.88 39.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 2.6 mt-10 -35.55 134.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.71 HE21 ' NH2' ' A' ' 87' ' ' ARG . 6.8 mt-30 -52.78 -20.1 2.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.71 -23.15 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.611 HG23 ' CE ' ' A' ' 100' ' ' MET . 16.1 mt -91.98 -53.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.811 ' HA ' HD12 ' A' ' 67' ' ' LEU . 66.9 t80 -49.78 -20.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -93.07 24.49 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.777 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . . . -155.36 29.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 64' ' ' PHE . 35.4 mt -114.03 155.27 26.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.11 159.73 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.88 -170.71 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -144.92 -177.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.223 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.586 ' N ' HG23 ' A' ' 70' ' ' ILE . 1.5 p -110.05 -168.3 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 75' ' ' ASN . 12.3 p-10 -76.65 -40.81 47.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -49.87 -54.44 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' HD13 ' A' ' 50' ' ' LEU . 11.1 tt0 -64.75 -46.56 81.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 27.4 t30 -40.76 -39.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.06 -50.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.529 ' HE2' HD13 ' A' ' 90' ' ' LEU . 10.2 tmm? -51.51 -32.08 26.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.62 ' O ' HD11 ' A' ' 84' ' ' LEU . 5.4 mt -82.95 -25.66 32.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -43.78 98.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 34.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -97.42 174.37 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER -99.42 136.29 39.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' THR . . . 35.21 54.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' ' 78' ' ' LEU . 9.0 mt -37.6 98.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.511 HG21 HD12 ' A' ' 58' ' ' ILE . 62.7 p -67.53 173.19 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -87.3 11.62 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.71 ' NH2' HE21 ' A' ' 61' ' ' GLN . 3.0 ptp180 -149.63 24.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -71.4 138.31 49.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 109.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.53 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . 2.2 mmm180 -151.08 178.5 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.762 HD21 ' SG ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -106.2 151.59 24.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' LEU . . . -150.69 46.81 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.762 ' SG ' HD21 ' A' ' 90' ' ' LEU . 12.0 p -111.39 -30.05 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.583 ' NE2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -120.19 -133.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 93' ' ' GLN . 8.8 pt 46.98 -162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -142.3 142.83 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.351 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 29' ' ' LEU . 15.0 mt -59.41 164.99 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.881 ' HA ' HD12 ' A' ' 25' ' ' ILE . 29.4 p -142.56 154.0 44.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.45 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -53.52 -33.84 55.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.777 ' HB1' ' HD2' ' A' ' 66' ' ' LYS . . . -57.94 -20.23 36.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.865 ' O ' HD12 ' A' ' 7' ' ' ILE . 34.4 mmt -93.22 25.68 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 12.5 p-10 -70.66 90.68 0.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.6 p-10 91.09 24.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -64.44 155.95 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 m -126.37 143.96 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -141.31 155.17 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.543 ' HB2' HD12 ' A' ' 12' ' ' ILE . 37.4 ttt-85 -120.47 151.44 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 40' ' ' ILE . 92.2 t -112.32 95.94 33.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.87 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.25 -72.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p 174.76 176.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -179.83 132.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -157.85 142.18 16.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -174.9 127.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.885 HD11 HD13 ' A' ' 96' ' ' LEU . 5.3 pt -108.07 -179.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 28.1 m -115.4 136.72 52.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.749 HG12 ' CE1' ' A' ' 11' ' ' PHE . 57.9 t -130.91 137.37 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.691 ' CE1' HG23 ' A' ' 20' ' ' THR . 96.7 m-70 -118.61 140.21 50.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.648 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.749 ' CE1' HG12 ' A' ' 9' ' ' VAL . 55.9 m-85 -128.34 117.88 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 17' ' ' GLU . 12.6 mt -86.37 109.24 18.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -52.87 158.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -12.42 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -29.4 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.28 -0.89 7.07 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -70.79 -170.69 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -152.13 115.28 4.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -97.53 149.66 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.691 HG23 ' CE1' ' A' ' 10' ' ' HIS . 35.5 m -121.9 120.45 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 9' ' ' VAL . 11.2 t -141.88 131.82 24.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -92.4 125.6 37.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.658 ' HA3' HD12 ' A' ' 96' ' ' LEU . . . -91.39 -122.73 2.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 163.37 101.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.019 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -32.66 98.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 132.38 -16.09 4.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.543 1.152 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 16.3 p-10 -61.47 -152.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -160.05 119.97 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' LEU . 43.8 mt -42.01 153.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.844 HD13 ' SG ' ' A' ' 92' ' ' CYS . 10.4 tp 87.7 -52.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.87 -51.73 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.23 -51.81 68.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.58 -32.55 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -72.95 -19.72 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -99.06 14.6 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 38' ' ' LEU . 9.9 t30 72.87 20.67 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 35.17 88.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 28.08 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.82 HG21 HG21 ' A' ' 107' ' ' VAL . 19.7 mt -133.64 58.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.8 m-20 -38.86 104.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' THR . . . 143.99 -27.36 2.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.73 177.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.18 157.62 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.74 -47.71 0.96 Allowed 'General case' 0 C--O 1.258 1.515 0 CA-C-O 124.613 2.149 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.5 p -61.46 -1.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 120.371 -1.455 . . . . 0.0 113.499 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.3 tp10 86.26 -8.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.632 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 99.06 28.91 7.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.6 p -97.0 5.69 49.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 mt 72.78 78.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.11 30.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.007 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 31.9 p -142.54 -46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 108.265 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.434 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 2.7 t 61.97 11.72 4.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 52' ' ' CYS . 23.1 p -102.09 23.22 11.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.765 ' HG ' ' HG ' ' A' ' 92' ' ' CYS . 10.1 t -103.13 -122.55 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 108.276 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.82 ' C ' HD22 ' A' ' 57' ' ' LEU . 2.4 p80 61.5 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 56' ' ' HIS . 3.5 mm? -141.82 168.51 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 85' ' ' THR . 1.0 OUTLIER -101.68 137.57 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.811 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -105.22 151.38 24.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HB3' ' CG1' ' A' ' 63' ' ' ILE . 5.2 tt0 -64.0 160.28 18.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 27.3 mt-30 -67.97 136.08 53.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 82.4 -6.5 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.755 HD11 ' CE1' ' A' ' 62' ' ' HIS . 19.6 mm -96.92 -49.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.473 ' CE2' ' O ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -55.3 -41.26 72.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -67.57 -16.32 64.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.636 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -90.41 -40.68 11.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.811 HD12 ' CD2' ' A' ' 59' ' ' PHE . 75.2 mt -48.11 148.93 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.15 166.72 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.92 -177.44 3.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.758 HD11 ' OE2' ' A' ' 74' ' ' GLU . 1.2 tp -140.01 158.48 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.3 p -81.04 -173.64 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -77.85 -41.73 35.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -54.49 -56.84 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.758 ' OE2' HD11 ' A' ' 70' ' ' ILE . 8.0 tt0 -62.28 -34.45 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.943 ' HA ' HD23 ' A' ' 78' ' ' LEU . 11.1 t30 -57.07 -37.97 72.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.36 -45.41 80.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 tpp -69.5 -15.46 63.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.943 HD23 ' HA ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -88.91 -6.91 56.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.14 -48.93 18.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.9 mm? -44.03 -29.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.578 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -41.84 142.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.1 146.37 24.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 37.97 45.08 1.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.612 HD21 HD12 ' A' ' 78' ' ' LEU . 9.1 mt -39.88 107.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 0.814 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.709 HG21 HD13 ' A' ' 58' ' ' ILE . 5.8 p -76.86 -168.35 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.473 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 1.7 t0 -90.27 4.34 50.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 3.9 ptp180 -146.09 25.87 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -106.78 138.77 42.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.858 ' HA ' HD13 ' A' ' 78' ' ' LEU . 6.3 mtp180 -160.11 172.55 17.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.71 HD22 ' HG3' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -77.29 121.72 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.21 -139.81 10.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.844 ' SG ' HD13 ' A' ' 30' ' ' LEU . 57.5 m 55.5 44.73 26.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.52 -172.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt 43.29 -161.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.3 m -140.56 155.97 46.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 108.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.885 HD13 HD11 ' A' ' 7' ' ' ILE . 9.9 mt -60.57 152.23 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 1.019 ' HA ' HD12 ' A' ' 25' ' ' ILE . 23.9 p -130.8 166.11 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -60.26 -18.56 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.636 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -84.61 6.68 22.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.626 ' CE ' HG23 ' A' ' 63' ' ' ILE . 24.2 mmt -112.95 11.16 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 15.7 p-10 -57.48 96.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.1 t30 81.5 37.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.472 ' O ' ' CG ' ' A' ' 103' ' ' MET . 17.7 ptm -71.24 125.91 28.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 m -99.45 142.12 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG2' ' CD2' ' A' ' 11' ' ' PHE . 5.0 m -137.92 163.82 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.477 ' NH2' HD13 ' A' ' 12' ' ' ILE . 21.5 ttm105 -129.81 150.11 51.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.82 HG21 HG21 ' A' ' 40' ' ' ILE . 73.4 t -110.3 98.32 35.23 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.02 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 1.007 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.2 164.81 20.98 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.47 166.0 12.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.609 1.193 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -116.63 163.01 16.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.7 166.03 23.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.242 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -170.12 136.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.542 HG23 HG23 ' A' ' 25' ' ' ILE . 1.5 pt -111.46 -176.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.6 m -125.54 112.79 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.775 HG13 ' CG ' ' A' ' 103' ' ' MET . 10.9 t -100.4 143.93 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.561 ' O ' HG22 ' A' ' 105' ' ' VAL . 59.3 m-70 -118.98 138.54 52.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CD2' ' CG2' ' A' ' 105' ' ' VAL . 45.0 m-85 -127.52 122.99 34.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 105' ' ' VAL . 7.8 mt -91.26 99.72 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -45.46 164.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -72.16 -15.82 61.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -27.99 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.14 1.53 7.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.1 123.96 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 m -88.18 119.93 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 39' ' ' ASP . 6.9 mp -101.02 147.99 25.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.4 m -121.12 113.65 20.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.456 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -132.77 128.75 37.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -90.4 134.16 34.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 7' ' ' ILE . . . -133.98 135.38 7.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -76.69 110.28 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.542 HG23 HG23 ' A' ' 7' ' ' ILE . 1.1 pp -36.15 104.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.92 -18.08 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.674 ' OD2' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -85.43 161.49 19.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.92 129.29 35.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 96' ' ' LEU . 61.3 mt -47.04 -56.97 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 92' ' ' CYS . 8.9 tp -40.24 -45.76 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.81 -47.37 86.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.674 HG23 ' OD2' ' A' ' 27' ' ' ASP . 57.4 t -53.39 -50.17 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.14 -53.11 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.3 t -57.68 -35.25 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.174 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -68.25 -21.35 64.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -98.57 15.67 24.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 38' ' ' LEU . 28.1 t-20 66.71 22.58 10.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 43' ' ' PHE . 0.5 OUTLIER 36.69 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.472 ' HB3' HD21 ' A' ' 19' ' ' LEU . 4.1 t0 -98.64 37.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.563 HG21 HG21 ' A' ' 107' ' ' VAL . 19.3 mt -132.34 165.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.362 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.499 ' N ' HG22 ' A' ' 40' ' ' ILE . 1.1 m-20 -110.08 40.01 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.27 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.76 20.22 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.585 ' CD2' HD13 ' A' ' 38' ' ' LEU . 10.1 t80 -65.4 141.07 58.67 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.518 0.775 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.2 161.86 8.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.72 -49.1 2.35 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-O 124.653 2.168 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.3 p -68.53 3.04 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 120.334 -1.479 . . . . 0.0 113.498 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 5.6 tt0 79.32 -0.85 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.352 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.659 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 92.02 26.03 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.5 m -88.89 6.89 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD21 HD13 ' A' ' 90' ' ' LEU . 88.6 mt 68.77 90.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.36 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.217 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.016 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 28.2 p -71.12 -45.43 63.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.63 41.04 26.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.4 ' O ' ' ND1' ' A' ' 56' ' ' HIS . 5.6 p -127.47 -40.86 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 110.413 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 92' ' ' CYS . 4.7 t -41.38 -76.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 108.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.633 ' CD2' ' O ' ' A' ' 55' ' ' CYS . 1.8 p-80 48.71 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 106' ' ' ARG . 0.5 OUTLIER 169.92 169.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.259 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 108' ' ' PRO . 3.8 mm -119.78 135.69 59.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.893 ' CD2' HD11 ' A' ' 67' ' ' LEU . 8.6 m-85 -123.74 122.72 38.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' CB ' HD12 ' A' ' 63' ' ' ILE . 3.6 tp10 -38.13 141.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -25.79 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -81.4 -23.61 37.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.559 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' A' ' 60' ' ' GLU . 7.9 mt -94.9 -51.36 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.883 ' HA ' HD12 ' A' ' 67' ' ' LEU . 6.0 t80 -52.17 -39.91 60.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.17 -18.72 61.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -99.48 12.85 35.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.893 HD11 ' CD2' ' A' ' 59' ' ' PHE . 50.8 mt -96.49 175.53 6.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -86.59 164.14 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.78 135.28 37.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.594 HD12 ' NH2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -89.29 179.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 70' ' ' ILE . 56.6 p -116.44 179.53 3.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.17 -53.63 35.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -46.49 -57.75 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.516 ' OE2' HD11 ' A' ' 70' ' ' ILE . 16.7 tt0 -59.98 -44.23 94.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.45 -41.58 20.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.4 tpp -66.04 -25.17 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -82.37 -41.4 20.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.626 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -44.23 -50.81 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -41.35 -32.12 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.15 143.67 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.53 155.2 19.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.26 42.56 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 79' ' ' ASP . 5.3 mt -41.3 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.458 ' CG2' HD12 ' A' ' 58' ' ' ILE . 22.3 p -97.61 178.87 5.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.27 6.03 24.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -140.12 27.79 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.469 ' OG ' HD22 ' A' ' 84' ' ' LEU . 11.6 p -77.39 160.89 28.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.851 ' HD3' HD13 ' A' ' 67' ' ' LEU . 3.8 ttt-85 175.67 144.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.762 HD22 ' NE2' ' A' ' 93' ' ' GLN . 0.3 OUTLIER -64.44 153.41 38.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' H ' HD23 ' A' ' 90' ' ' LEU . . . -142.92 50.64 0.69 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 55' ' ' CYS . 3.7 m -141.19 47.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.762 ' NE2' HD22 ' A' ' 90' ' ' LEU . 1.4 pt20 -176.65 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.8 tp -66.84 152.73 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' ASP . 11.4 p -108.85 142.31 39.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.309 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.839 HD21 HD21 ' A' ' 29' ' ' LEU . 6.9 mt -52.8 162.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 96' ' ' LEU . 1.1 p -148.2 -167.95 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -83.6 -38.96 20.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.488 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -56.07 -18.02 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.668 ' O ' ' C ' ' A' ' 101' ' ' ASP . 14.1 mmt -78.0 -69.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.668 ' C ' ' O ' ' A' ' 100' ' ' MET . 37.9 p-10 14.43 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 0.8 OUTLIER 82.0 36.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.775 ' CG ' HG13 ' A' ' 9' ' ' VAL . 18.1 ptm -80.86 123.09 27.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.5 m -98.74 142.75 29.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 10' ' ' HIS . 5.1 m -136.85 166.06 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.473 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.4 ttt180 -132.03 150.08 52.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 40' ' ' ILE . 42.9 t -111.37 97.89 37.76 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.761 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 1.016 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.12 87.84 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.62 103.31 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 2.4 pt-20 179.73 134.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER 162.11 131.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.563 ' CD ' ' O ' ' A' ' 5' ' ' ASP . . . -162.76 141.73 8.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.493 1.12 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 100' ' ' MET . 2.5 pt -88.87 170.7 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 99.3 m -109.85 137.46 47.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.451 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.677 HG12 ' CE1' ' A' ' 11' ' ' PHE . 47.7 t -130.3 144.05 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' LEU . 35.3 m-70 -123.8 141.59 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.625 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.677 ' CE1' HG12 ' A' ' 9' ' ' VAL . 37.7 m-85 -130.13 117.91 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 17' ' ' GLU . 12.9 mt -87.35 108.22 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.43 HD22 HD21 ' A' ' 19' ' ' LEU . 2.2 t-20 -51.33 150.37 3.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -59.91 -14.67 16.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.81 -29.96 32.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.49 -0.27 6.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.571 1.169 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.721 ' O ' HG23 ' A' ' 12' ' ' ILE . 4.4 mm-40 -70.62 -171.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -150.88 114.66 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.918 HD23 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -99.16 150.38 22.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -121.79 126.95 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.9 t -150.03 129.98 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' THR . . . -87.89 135.53 33.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.594 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -94.15 -139.2 9.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.643 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 176.51 82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.643 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -18.96 95.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 138.23 -11.9 3.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . 6.5 t70 -104.98 150.25 25.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.667 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -72.66 -171.84 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 91' ' ' GLY . 2.5 mt -96.72 -48.93 5.29 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.026 HD22 ' SG ' ' A' ' 92' ' ' CYS . 0.9 OUTLIER -51.01 -48.68 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -54.18 -44.61 71.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 28' ' ' SER . 78.4 t -58.84 -50.83 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.869 HG22 HD21 ' A' ' 38' ' ' LEU . 3.7 t -55.12 -43.27 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.976 HG23 ' CE1' ' A' ' 43' ' ' PHE . 3.1 t -71.12 -34.32 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.8 mm-40 -68.89 -32.86 72.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.232 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -81.22 -14.45 57.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 29.34 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.979 HD13 HD12 ' A' ' 40' ' ' ILE . 4.2 pp -64.67 158.73 23.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.18 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -113.66 72.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.979 HD12 HD13 ' A' ' 38' ' ' LEU . 22.0 mt -116.74 111.83 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.84 92.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.577 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 177.47 -34.79 0.08 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.976 ' CE1' HG23 ' A' ' 34' ' ' VAL . 68.7 t80 -21.41 131.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 0.769 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.792 ' H ' HD11 ' A' ' 30' ' ' LEU . . . -40.75 164.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.46 -56.05 2.45 Favored 'General case' 0 C--O 1.257 1.485 0 CA-C-O 124.672 2.177 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 12.7 p -68.33 -0.55 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.372 -1.455 . . . . 0.0 113.44 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 2.5 tt0 88.0 -17.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.608 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 107.52 26.26 5.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 64.6 p -96.31 15.93 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 50' ' ' LEU . 15.3 mt 67.28 97.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . 179.92 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.96 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 26.3 p -89.41 -160.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.276 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -159.88 25.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.471 ' O ' ' O ' ' A' ' 42' ' ' GLY . 16.6 p -119.35 48.29 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.45 87.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.488 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -145.64 127.82 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.647 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.77 HD12 HG23 ' A' ' 105' ' ' VAL . 2.3 mm? -127.57 133.59 49.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.875 HD13 HG21 ' A' ' 85' ' ' THR . 0.5 OUTLIER -92.45 108.55 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 59.7 m-85 -82.0 -169.73 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.151 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -104.82 159.76 15.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.233 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.1 tt0 -67.67 74.29 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER 163.95 -30.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG23 ' CE ' ' A' ' 100' ' ' MET . 28.4 mm -86.61 -49.33 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -53.48 -40.51 65.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -11.95 61.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . . . -92.58 -22.57 19.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.585 HD11 ' CZ ' ' A' ' 59' ' ' PHE . 93.1 mt -60.01 161.54 6.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.56 159.77 30.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.51 49.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.35 153.07 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -83.34 179.92 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -71.03 -46.65 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -52.34 -58.11 7.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' OE2' ' OE1' ' A' ' 93' ' ' GLN . 4.4 tt0 -59.15 -42.6 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -46.89 -48.54 21.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.27 -58.01 9.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -55.2 -35.63 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.84 -38.73 86.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.594 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -50.8 -45.32 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.82 -24.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 78' ' ' LEU . . . -45.07 149.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -87.25 146.55 25.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 35.53 49.93 0.99 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.594 HD11 ' HA ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -39.29 116.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.875 HG21 HD13 ' A' ' 58' ' ' ILE . 6.9 p -88.71 -169.53 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.478 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -94.71 3.58 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . 7.3 ptp180 -145.96 26.54 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.93 134.24 45.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 78' ' ' LEU . 1.3 tpp180 -159.41 146.76 17.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.77 HD23 ' H ' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -39.27 147.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.442 ' O ' HD12 ' A' ' 29' ' ' LEU . . . -104.37 -30.55 4.96 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 1.026 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -76.33 171.72 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' OE1' ' OE2' ' A' ' 74' ' ' GLU . 3.0 mt-30 72.54 -67.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.9 pt -59.92 127.24 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -87.44 160.98 18.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 108.267 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.594 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 30.0 mt -63.68 165.88 7.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.633 ' HA ' HD13 ' A' ' 25' ' ' ILE . 34.8 p -150.91 160.31 43.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -56.29 -21.67 25.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.26 -2.1 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.553 ' CE ' HG23 ' A' ' 63' ' ' ILE . 25.0 mmt -108.3 21.79 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -66.02 99.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.9 OUTLIER 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -75.17 152.55 38.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.3 m -116.16 138.9 50.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.77 HG23 HD12 ' A' ' 57' ' ' LEU . 1.3 m -139.47 157.3 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -123.79 151.18 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.904 HG21 HG21 ' A' ' 40' ' ' ILE . 24.5 t -106.12 103.75 46.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.488 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.96 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.99 137.68 58.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.79 134.28 55.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.21 153.17 33.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -122.78 162.01 22.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -169.88 134.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.571 ' HB ' ' HA ' ' A' ' 101' ' ' ASP . 0.9 OUTLIER -97.73 -178.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.237 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 102' ' ' ASN . 61.6 m -119.34 136.57 54.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.691 HG12 ' CE1' ' A' ' 11' ' ' PHE . 89.9 t -130.48 139.92 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.633 ' CE1' HG23 ' A' ' 20' ' ' THR . 95.7 m-70 -119.22 144.9 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.573 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.691 ' CE1' HG12 ' A' ' 9' ' ' VAL . 28.7 m-85 -129.47 131.98 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 105' ' ' VAL . 13.0 mt -100.43 96.36 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' CB ' ' HG2' ' A' ' 17' ' ' GLU . 2.8 t-20 -54.35 144.12 21.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.52 -22.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -66.83 -34.79 78.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.201 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.02 -10.46 7.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 3.5 pt-20 -77.73 150.06 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 ' C ' HD13 ' A' ' 19' ' ' LEU . 2.2 m -110.13 125.99 53.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.87 HD23 HD11 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -98.42 155.42 17.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.633 HG23 ' CE1' ' A' ' 10' ' ' HIS . 19.4 m -123.25 116.52 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.372 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 9' ' ' VAL . 5.1 t -130.58 174.38 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -137.66 139.62 40.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -139.49 145.44 16.57 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -82.48 110.88 17.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.484 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 1.3 tt -36.26 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 134.53 -7.04 4.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -104.29 147.81 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.437 0.728 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -69.99 155.31 40.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.043 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 96' ' ' LEU . 10.6 mt -71.74 -44.23 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.02 HD21 ' HA3' ' A' ' 44' ' ' GLY . 7.9 mp -49.03 -47.8 44.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -58.83 -45.87 89.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 28' ' ' SER . 89.9 t -55.86 -56.37 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.635 1.21 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . 21.8 t -52.42 -60.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.506 HG23 ' CE1' ' A' ' 43' ' ' PHE . 70.9 t -51.5 -42.97 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 5.5 mm-40 -65.24 -26.76 68.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.527 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -102.73 7.11 39.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER 43.85 34.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.853 HD12 ' CD1' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -60.22 127.15 30.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.8 83.69 5.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.105 HG21 HG21 ' A' ' 107' ' ' VAL . 23.8 mt -130.45 131.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 86.4 7.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' PHE . . . 175.69 -33.61 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 6.1 t80 -36.84 138.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.803 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 1.02 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . -53.75 168.6 1.34 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.45 -49.75 1.4 Allowed 'General case' 0 C--O 1.257 1.497 0 CA-C-O 124.722 2.201 . . . . 0.0 109.389 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.9 p -67.56 -0.77 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.337 -1.477 . . . . 0.0 113.402 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 1.4 tp10 85.13 -6.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.251 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.636 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 97.3 25.57 10.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 31.0 p -94.45 7.18 46.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 110.452 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD21 ' NE2' ' A' ' 93' ' ' GLN . 66.9 mt 72.4 79.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -176.19 31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 32.1 p -144.84 -45.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.306 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 69.56 6.15 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' HA2' ' A' ' 44' ' ' GLY . 43.7 p -117.93 63.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.799 ' SG ' 'FE2 ' ' A' ' 146' ' ' FES . 7.0 p -155.3 32.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 108' ' ' PRO . 17.7 p-80 -96.3 131.86 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.692 HD22 ' CG2' ' A' ' 105' ' ' VAL . 0.9 OUTLIER -122.36 172.7 8.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.809 HD13 HG21 ' A' ' 85' ' ' THR . 0.7 OUTLIER -119.72 109.48 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.863 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -83.29 130.9 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.1 mt-10 -35.78 152.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 3.1 mt-30 -67.68 79.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CB ' ' O ' ' A' ' 61' ' ' GLN . 0.6 OUTLIER 160.25 -27.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.482 HG21 ' SD ' ' A' ' 100' ' ' MET . 3.4 mt -77.42 -48.97 23.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 6.3 t80 -57.18 -39.31 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -12.29 31.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 67' ' ' LEU . . . -101.19 -51.63 3.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.863 HD12 ' CD2' ' A' ' 59' ' ' PHE . 14.8 mt -42.21 163.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.44 -173.22 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.41 -169.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -141.44 153.21 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 p -82.95 -175.48 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.4 -57.87 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -43.17 -51.15 6.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' OE2' ' NE2' ' A' ' 93' ' ' GLN . 41.0 mt-10 -67.28 -35.23 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.32 -31.97 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.63 -58.8 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.82 -24.63 66.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.74 -42.88 19.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -42.6 -49.03 5.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -39.99 -30.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.661 ' HB3' ' HG ' ' A' ' 84' ' ' LEU . . . -37.56 136.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.423 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -85.28 151.53 23.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 82' ' ' TYR . . . 36.79 42.11 0.67 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.661 ' HG ' ' HB3' ' A' ' 81' ' ' ALA . 4.2 mt -43.41 127.04 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 109.271 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.809 HG21 HD13 ' A' ' 58' ' ' ILE . 5.7 p -101.5 -169.76 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.51 13.19 18.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.505 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 1.3 ptp85 -150.58 29.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.462 ' OG ' HG23 ' A' ' 58' ' ' ILE . 58.3 m -113.89 132.97 55.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 89' ' ' ARG . 7.7 ttp-105 -168.45 87.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.883 HD12 ' CD ' ' A' ' 93' ' ' GLN . 0.5 OUTLIER 46.57 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -149.65 -44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.871 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -57.39 -63.5 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.883 ' CD ' HD12 ' A' ' 90' ' ' LEU . 44.7 mt-30 -31.87 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -40.8 135.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 24.1 p -106.06 164.88 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.635 HD21 HD21 ' A' ' 29' ' ' LEU . 2.4 mt -61.06 145.1 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.403 ' C ' HD12 ' A' ' 25' ' ' ILE . 30.3 p -140.74 179.33 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.484 ' HG3' ' CD1' ' A' ' 25' ' ' ILE . . . -77.58 -18.17 57.14 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.59 6.02 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.693 ' O ' ' C ' ' A' ' 101' ' ' ASP . 5.6 mmt -108.72 -51.91 2.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.693 ' C ' ' O ' ' A' ' 100' ' ' MET . 0.2 OUTLIER -5.24 101.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.8 t-20 79.85 32.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -78.16 150.87 33.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.2 m -117.92 133.22 56.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.692 ' CG2' HD22 ' A' ' 57' ' ' LEU . 2.2 m -132.28 155.54 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -118.18 150.9 38.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.105 HG21 HG21 ' A' ' 40' ' ' ILE . 40.9 t -107.23 108.25 61.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.412 1.743 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.982 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.97 174.65 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -157.17 164.06 38.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.073 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.89 173.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.75 162.45 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 6' ' ' LYS . . . -177.42 117.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.852 HD12 ' N ' ' A' ' 101' ' ' ASP . 3.5 pt -110.68 -176.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -109.17 130.05 55.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.806 HG12 ' CE1' ' A' ' 11' ' ' PHE . 60.9 t -130.3 119.99 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.615 ' CE1' HG23 ' A' ' 20' ' ' THR . 65.7 m-70 -95.86 145.37 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.548 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.806 ' CE1' HG12 ' A' ' 9' ' ' VAL . 13.4 m-85 -129.6 122.05 28.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.491 HD11 ' CG2' ' A' ' 104' ' ' THR . 7.6 mt -91.9 97.06 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.726 ' OD1' HG23 ' A' ' 40' ' ' ILE . 3.2 t-20 -55.17 145.25 21.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.39 -22.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -34.78 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.06 -10.23 8.35 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -79.49 151.99 30.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -104.58 125.32 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.509 HD22 ' CG1' ' A' ' 40' ' ' ILE . 10.4 mp -101.38 153.68 19.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.615 HG23 ' CE1' ' A' ' 10' ' ' HIS . 21.8 m -117.75 135.69 53.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.527 ' CG2' ' CE1' ' A' ' 11' ' ' PHE . 11.5 t -165.35 129.54 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.649 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -76.84 148.11 36.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -105.58 -107.39 3.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.644 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.44 92.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -32.81 97.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 129.99 -14.72 5.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 32' ' ' VAL . 48.9 t0 -81.98 156.26 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.75 -84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.024 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 28' ' ' SER . 1.7 mt 168.1 -51.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.838 HD21 ' SG ' ' A' ' 55' ' ' CYS . 3.5 mp -56.3 -44.69 80.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' CG ' ' OD1' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -53.63 -42.25 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG2' ' OD2' ' A' ' 27' ' ' ASP . 83.0 t -57.05 -32.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' CE2' ' A' ' 11' ' ' PHE . 22.1 t -77.5 -36.3 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -53.34 49.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -63.69 -11.42 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -93.75 -5.84 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 31.8 t30 84.11 20.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 36.95 75.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -98.25 37.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.058 HG21 HG21 ' A' ' 107' ' ' VAL . 84.2 mt -140.73 145.53 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.64 95.02 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.37 -27.79 0.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CZ ' HD23 ' A' ' 30' ' ' LEU . 75.2 t80 -40.31 160.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 55' ' ' CYS . . . -59.54 -153.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.55 -47.22 0.04 OUTLIER 'General case' 0 C--O 1.258 1.536 0 CA-C-O 124.679 2.181 . . . . 0.0 109.381 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.7 p -67.6 0.18 3.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 120.339 -1.475 . . . . 0.0 113.445 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 15.1 tt0 88.3 -18.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.604 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 104.11 75.5 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.1 p -145.83 11.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD13 ' HG2' ' A' ' 73' ' ' GLU . 35.1 mt 69.08 79.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.82 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.056 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 24.9 p -69.02 -45.69 69.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 t 60.02 59.08 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 3.4 p -146.34 -45.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.838 ' SG ' HD21 ' A' ' 30' ' ' LEU . 3.0 t -50.23 124.59 10.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.775 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -164.93 138.02 4.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.626 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 56' ' ' HIS . 3.5 mm? -135.59 144.61 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.808 HD11 ' HG3' ' A' ' 108' ' ' PRO . 3.6 mm -98.8 109.65 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.968 ' CD2' HD11 ' A' ' 67' ' ' LEU . 30.2 m-85 -91.38 131.8 36.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 59' ' ' PHE . 1.2 mt-10 -32.61 143.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.432 ' CA ' ' HD3' ' A' ' 87' ' ' ARG . 4.0 pt20 -56.09 -15.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -99.16 -38.7 8.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.57 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 33.3 mm -71.76 -46.41 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.795 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.9 t80 -49.63 -35.96 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -75.93 -18.33 59.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' ILE . . . -88.82 -4.74 58.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.968 HD11 ' CD2' ' A' ' 59' ' ' PHE . 54.5 mt -83.0 172.32 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' O ' ' NH2' ' A' ' 89' ' ' ARG . 3.9 mm-40 -92.71 169.31 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.215 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.87 175.45 10.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.538 HD13 HH21 ' A' ' 89' ' ' ARG . 1.6 tp -147.43 164.39 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 70' ' ' ILE . 23.7 p -75.95 -177.46 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.394 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.13 -34.25 29.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG2' HD13 ' A' ' 50' ' ' LEU . 14.3 tt0 -51.37 -52.63 44.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.346 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -41.92 85.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -48.39 -31.59 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -74.5 -41.48 60.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.2 tpp -65.61 -23.05 66.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -94.14 -15.64 24.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.829 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -62.64 -52.13 64.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -47.54 -28.81 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -40.26 153.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.93 148.27 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 38.38 49.83 2.29 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.155 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.829 HD11 ' HA ' ' A' ' 79' ' ' ASP . 5.4 mt -41.33 116.76 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.417 ' CG2' HD12 ' A' ' 58' ' ' ILE . 3.4 p -89.43 163.54 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.449 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.51 -18.03 62.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.446 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -121.85 31.0 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 t -84.46 170.11 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.068 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.644 ' HD2' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -175.3 154.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.88 -113.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.12 -52.3 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.642 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.08 72.45 10.02 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' A' ' 92' ' ' CYS . 1.5 mt-30 166.77 51.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -174.1 123.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -85.25 143.72 28.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' CD1' ' HA3' ' A' ' 23' ' ' GLY . 12.1 mt -69.36 163.51 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.808 ' HA ' HD12 ' A' ' 25' ' ' ILE . 21.8 p -149.71 -179.37 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.47 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -74.31 -27.38 60.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.92 -4.79 34.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.624 ' O ' ' C ' ' A' ' 101' ' ' ASP . 16.3 mmt -100.75 -53.71 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.852 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.3 t70 -19.88 108.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.599 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 13.4 t-20 90.14 20.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.526 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER -80.37 148.96 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 12' ' ' ILE . 2.6 m -116.13 133.19 56.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -129.9 159.96 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 43.5 ttt180 -120.26 150.91 39.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 1.058 HG21 HG21 ' A' ' 40' ' ' ILE . 59.0 t -111.12 97.65 35.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.808 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.513 1.796 . . . . 0.0 111.03 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 1.056 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -130.62 157.54 42.47 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -131.58 147.06 52.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.8 162.88 25.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -124.15 156.06 37.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 6' ' ' LYS . . . -173.86 136.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 1.6 pt -108.48 -178.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 26.5 m -117.55 135.82 53.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.717 HG12 ' CE1' ' A' ' 11' ' ' PHE . 32.0 t -130.89 137.59 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.504 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.8 m-70 -113.47 143.49 44.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.717 ' CE1' HG12 ' A' ' 9' ' ' VAL . 34.4 m-85 -133.88 124.46 26.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.415 1.072 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' A' ' 106' ' ' ARG . 8.3 mt -92.45 100.89 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLY . 2.2 t-20 -56.37 140.35 45.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -46.67 -26.32 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.55 -36.3 82.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.568 1.167 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' ASN . . . 128.61 -13.29 6.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG2' ' CB ' ' A' ' 13' ' ' ASN . 8.2 pt-20 -76.66 157.78 31.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 0.752 . . . . 0.0 110.346 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -113.38 127.15 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -99.88 145.92 27.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.504 HG23 ' CE1' ' A' ' 10' ' ' HIS . 17.4 m -119.1 112.84 20.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -129.2 167.58 17.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 7' ' ' ILE . . . -129.19 127.97 42.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.622 ' HA3' HD12 ' A' ' 96' ' ' LEU . . . -122.9 148.35 16.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -94.82 109.08 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 98' ' ' LYS . 1.2 tt -34.59 99.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 135.74 -12.42 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -94.53 134.79 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.1 m -53.97 100.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.43 -24.53 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -66.2 -34.06 77.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' SER . 6.2 m-20 -81.27 -35.39 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 29' ' ' LEU . 42.2 t -39.45 -47.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.602 HG12 ' CE1' ' A' ' 43' ' ' PHE . 9.5 t -68.8 -46.33 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 43' ' ' PHE . 57.2 t -55.53 -45.54 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.0 -32.19 73.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.73 -23.97 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.4 t30 64.71 45.54 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.484 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -94.03 157.75 15.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 80.35 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.789 ' CG2' HG21 ' A' ' 107' ' ' VAL . 18.0 mt -130.97 169.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -103.32 23.4 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -109.11 7.48 32.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CE1' HG12 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -62.29 -11.35 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 111.035 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' CA ' ' S2 ' ' A' ' 146' ' ' FES . . . 58.1 105.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.07 -56.57 8.4 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-O 124.684 2.183 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 20.3 p -70.6 2.03 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 120.271 -1.518 . . . . 0.0 113.452 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 4.4 tt0 84.18 -12.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.333 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.663 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 104.79 33.05 3.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -100.57 -0.26 38.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.446 0.733 . . . . 0.0 110.374 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.514 HD13 ' HG2' ' A' ' 73' ' ' GLU . 20.0 mt 81.66 77.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.84 18.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.98 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 26.3 p -132.13 -22.84 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB2' ' CE ' ' A' ' 77' ' ' MET . 4.8 t 46.98 29.05 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -142.38 84.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -178.33 48.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 108.255 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.631 ' CE1' ' HA ' ' A' ' 81' ' ' ALA . 2.3 p-80 -110.67 151.36 27.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -146.22 168.37 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.728 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.4 mm -105.49 108.39 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.732 ' CD2' HD11 ' A' ' 67' ' ' LEU . 61.1 m-85 -97.02 126.9 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.761 ' CB ' HD12 ' A' ' 63' ' ' ILE . 3.3 tt0 -36.13 146.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -57.82 -19.57 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 -16.34 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.622 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.761 HD12 ' CB ' ' A' ' 60' ' ' GLU . 12.2 mt -98.93 -51.39 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.626 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.8 t80 -49.88 -40.44 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -17.63 60.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.675 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -89.9 -14.53 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.732 HD11 ' CD2' ' A' ' 59' ' ' PHE . 72.6 mt -77.5 163.34 26.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -71.47 159.84 33.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.394 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 170.6 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.432 HG12 ' CB ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -125.56 175.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -121.03 179.79 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.456 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.54 -56.37 22.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG2' HD13 ' A' ' 50' ' ' LEU . 14.4 tt0 -45.11 -55.84 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.507 ' OE1' HD23 ' A' ' 90' ' ' LEU . 18.9 mt-10 -63.82 -37.55 87.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -58.41 -29.78 66.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -77.25 -52.76 8.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 53' ' ' SER . 0.4 OUTLIER -65.92 -8.39 22.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -107.45 -35.6 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.602 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -53.46 -44.71 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 mt -51.63 -21.37 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.631 ' HA ' ' CE1' ' A' ' 56' ' ' HIS . . . -41.08 156.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.79 125.33 39.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.01 -47.13 3.63 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER 45.51 78.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.713 . . . . 0.0 109.337 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.505 ' CG2' HD12 ' A' ' 58' ' ' ILE . 27.8 p -63.13 -173.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -87.9 12.42 13.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.4 27.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.481 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -101.54 154.19 19.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.976 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.541 ' HD2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -179.86 154.06 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.777 HD21 ' SG ' ' A' ' 92' ' ' CYS . 41.5 tp -46.2 146.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 109.224 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.475 ' O ' HD21 ' A' ' 29' ' ' LEU . . . -131.32 47.84 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.777 ' SG ' HD21 ' A' ' 90' ' ' LEU . 7.3 p -131.07 -175.89 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 92' ' ' CYS . 10.8 pt20 31.06 44.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.228 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 8.6 mm -138.61 154.17 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.7 m -121.34 134.76 55.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 108.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.632 HD11 HG21 ' A' ' 9' ' ' VAL . 9.7 mt -44.42 159.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.492 ' C ' HD12 ' A' ' 25' ' ' ILE . 39.9 p -134.36 -173.48 3.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.606 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -87.87 7.24 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.675 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -110.76 2.9 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.632 ' CE ' HG23 ' A' ' 63' ' ' ILE . 31.3 mmt -106.44 0.86 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -48.69 106.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.6 t-20 64.66 44.55 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.624 ' HG3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -85.62 153.15 22.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.7 m -119.05 139.36 51.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.443 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 10' ' ' HIS . 3.4 m -137.7 153.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 42.2 ttt85 -120.42 149.44 42.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.789 HG21 ' CG2' ' A' ' 40' ' ' ILE . 8.9 t -111.4 99.17 43.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.728 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.98 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 3' ' ' SER . 14.0 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m 64.9 -78.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 1' ' ' SER . 1.1 m -39.97 138.16 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -145.63 -62.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 168.55 161.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -174.94 150.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.848 HD11 HD13 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -122.85 165.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 53.5 m -109.85 118.35 36.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.604 HG13 ' HE3' ' A' ' 103' ' ' MET . 23.1 t -109.97 137.97 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.722 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.2 m-70 -121.57 144.23 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.684 ' O ' HD22 ' A' ' 19' ' ' LEU . 56.4 m-85 -130.82 126.36 36.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.082 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.0 mt -90.4 101.04 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -58.31 146.04 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -49.9 -28.64 6.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.39 -30.03 70.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.69 -14.32 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' ASN . 8.5 pt-20 -75.55 156.42 35.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.4 m -113.54 128.59 56.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 11' ' ' PHE . 0.4 OUTLIER -95.28 157.16 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.722 HG23 ' CE1' ' A' ' 10' ' ' HIS . 28.7 m -126.51 117.93 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.445 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -146.38 124.94 12.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 8' ' ' THR . . . -81.62 138.22 35.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.675 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -100.0 -134.87 8.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.675 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 177.05 83.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.675 ' C ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -14.51 109.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.27 -12.75 31.11 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 28' ' ' SER . 56.1 t0 -82.88 156.11 23.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 0.774 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.468 ' C ' ' N ' ' A' ' 30' ' ' LEU . 42.1 m -80.52 90.66 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.934 HD21 ' O ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -38.19 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.924 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -64.1 -56.73 12.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.2 m-20 -56.82 -44.13 81.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' OD2' ' A' ' 27' ' ' ASP . 34.0 t -39.94 -52.13 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 43' ' ' PHE . 94.1 t -47.37 -65.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -54.93 -40.56 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.31 -18.99 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -101.65 -1.32 32.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 64.33 28.23 13.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -72.05 128.83 36.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.96 83.03 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.947 ' CG2' HG11 ' A' ' 107' ' ' VAL . 26.4 mt -123.27 139.59 49.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -86.51 48.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.86 33.27 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.665 ' CD2' ' O ' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -97.44 38.27 1.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.787 ' HA3' HD21 ' A' ' 30' ' ' LEU . . . 57.25 115.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 52' ' ' CYS . . . -92.57 -29.67 16.05 Favored 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.626 2.155 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 51' ' ' ALA . 17.0 p -94.01 6.86 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 120.378 -1.451 . . . . 0.0 113.541 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 73.73 4.28 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.666 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 87.54 28.94 23.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 37.1 p -95.97 9.22 41.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.464 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' THR . 94.9 mt 70.53 89.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB3' ' CB ' ' A' ' 46' ' ' CYS . . . -166.71 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.029 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 9.8 p -69.23 -47.37 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.179 . . . . 0.0 108.263 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 1.0 OUTLIER 88.28 -17.55 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' ' N ' ' A' ' 56' ' ' HIS . 2.3 p -88.06 -109.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.505 ' HB3' ' S2 ' ' A' ' 146' ' ' FES . 5.2 p 44.32 28.79 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 108' ' ' PRO . 0.1 OUTLIER -71.77 162.17 29.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 105' ' ' VAL . 7.5 tp -168.61 159.27 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.552 HD12 ' CG2' ' A' ' 85' ' ' THR . 1.5 mm -116.54 115.93 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.653 ' CE2' HD21 ' A' ' 67' ' ' LEU . 6.2 m-85 -91.56 129.36 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PHE . 12.1 mt-10 -33.61 146.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 1.2 pm0 -64.93 73.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 168.94 -31.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.81 HG21 ' SD ' ' A' ' 100' ' ' MET . 9.3 mm -81.35 -43.1 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CG ' ' HA ' ' A' ' 87' ' ' ARG . 11.5 t80 -53.06 -40.96 64.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -77.38 -2.84 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . . . -100.72 -34.21 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.653 HD21 ' CE2' ' A' ' 59' ' ' PHE . 31.1 mt -43.51 158.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.77 138.09 55.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.06 134.61 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.405 HD11 ' N ' ' A' ' 75' ' ' ASN . 5.0 tt -84.94 118.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -53.69 -51.01 64.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 71' ' ' THR . 0.8 OUTLIER 153.26 -51.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 4.1 tt0 -51.28 -46.91 62.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.41 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' N ' HD11 ' A' ' 70' ' ' ILE . 11.6 t-20 -67.34 -32.71 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.09 -41.16 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.2 tpt -71.89 -17.96 62.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.657 ' HG ' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -84.69 -34.8 22.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.687 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -42.42 -47.61 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -44.49 -39.18 4.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -38.71 140.75 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.73 136.95 32.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.32 -48.03 3.53 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 79' ' ' ASP . 6.8 mt 45.42 81.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.552 ' CG2' HD12 ' A' ' 58' ' ' ILE . 74.4 p -64.55 -170.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 110.442 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -91.64 16.37 10.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' HA ' ' CG ' ' A' ' 64' ' ' PHE . 9.1 ptp180 -150.0 25.26 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 85' ' ' THR . 6.6 m -78.04 158.82 29.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.607 ' HG2' HD13 ' A' ' 67' ' ' LEU . 0.7 OUTLIER 178.91 136.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.592 HD23 ' HB2' ' A' ' 93' ' ' GLN . 2.1 tp -39.5 150.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.934 ' O ' HD21 ' A' ' 29' ' ' LEU . . . -89.11 -43.72 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.876 ' SG ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -84.6 -163.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.592 ' HB2' HD23 ' A' ' 90' ' ' LEU . 0.1 OUTLIER 73.26 -63.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -79.94 153.02 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.0 p -109.58 153.89 23.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.848 HD13 HD11 ' A' ' 7' ' ' ILE . 17.6 mt -51.39 170.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.529 ' HA ' HD13 ' A' ' 25' ' ' ILE . 29.0 p -145.7 174.58 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.444 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -78.4 -13.56 59.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.21 12.39 22.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.81 ' SD ' HG21 ' A' ' 63' ' ' ILE . 3.8 mmt -112.49 6.14 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.532 ' HA ' ' HB ' ' A' ' 7' ' ' ILE . 9.6 t0 -58.77 99.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.227 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' THR . 5.4 t-20 81.63 34.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.604 ' HE3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 150.25 35.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.7 m -118.13 132.83 56.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 57' ' ' LEU . 2.8 m -134.71 150.81 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -112.62 151.13 30.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.947 HG11 ' CG2' ' A' ' 40' ' ' ILE . 44.6 t -105.85 105.92 54.86 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 56' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 1.029 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.17 124.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p 174.04 122.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.19 172.14 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -107.49 154.0 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -175.88 125.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 2.6 pt -123.91 172.9 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.6 m -102.99 127.34 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.927 HG12 ' CE1' ' A' ' 11' ' ' PHE . 60.5 t -130.02 123.68 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.568 ' O ' HG22 ' A' ' 105' ' ' VAL . 98.6 m-70 -99.62 144.21 28.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.927 ' CE1' HG12 ' A' ' 9' ' ' VAL . 43.8 m-85 -134.07 118.7 18.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' ' 106' ' ' ARG . 8.1 mt -87.09 104.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.4 1.062 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' GLU . 1.4 t30 -56.25 166.86 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -69.89 -19.12 63.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -26.24 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.73 -9.94 12.56 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ASN . 5.4 pt-20 -77.11 148.95 35.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 0.813 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -104.11 125.5 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 40' ' ' ILE . 6.1 mp -97.27 150.52 20.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.503 HG23 ' CE1' ' A' ' 10' ' ' HIS . 76.0 m -125.71 125.65 43.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.444 HG21 HG12 ' A' ' 32' ' ' VAL . 6.9 t -152.25 143.36 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.446 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -71.95 -178.52 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' ILE . . . -142.42 -137.53 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.669 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . 171.47 69.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.799 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.1 OUTLIER -13.96 90.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 136.21 -19.06 3.67 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -84.84 146.08 27.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.5 m -67.65 162.98 22.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.32 -41.8 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -59.9 -24.67 64.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.54 -50.69 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 28' ' ' SER . 73.4 t -48.9 -31.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.0 -49.53 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.7 t -60.08 -30.78 46.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -83.06 -16.06 48.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 26.5 t-20 -93.13 11.5 27.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 14.8 t-20 82.29 18.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER 33.15 86.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.58 33.42 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.717 HG21 HG21 ' A' ' 107' ' ' VAL . 81.2 mt -138.16 70.82 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.01 20.96 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.48 4.45 24.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 57' ' ' LEU . 2.0 t80 37.57 -143.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 43' ' ' PHE . . . -36.06 125.82 0.86 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.95 -28.56 12.32 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-O 124.673 2.178 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 14.1 p -91.72 1.13 57.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 120.332 -1.48 . . . . 0.0 113.486 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 46' ' ' CYS . 0.7 OUTLIER 83.27 -6.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.051 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.657 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 96.35 27.78 9.68 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.0 p -97.48 10.1 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.76 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt 70.0 80.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.31 31.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.98 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 30.6 p -145.01 -46.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER 73.02 1.11 3.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.037 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 71.5 p -113.59 71.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.846 ' HG ' 'FE2 ' ' A' ' 146' ' ' FES . 7.0 p -161.64 32.44 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 81' ' ' ALA . 0.5 OUTLIER -88.53 155.57 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 109.585 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.84 HD21 HG22 ' A' ' 107' ' ' VAL . 17.9 mt -152.98 150.68 29.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.718 HG23 ' OG1' ' A' ' 85' ' ' THR . 2.2 mm -97.54 109.2 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 67' ' ' LEU . 51.6 m-85 -99.91 126.71 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.596 1.185 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' CB ' HG13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -38.18 145.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.52 -20.98 14.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.69 -19.25 27.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.558 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' A' ' 103' ' ' MET . 3.2 mt -97.68 -51.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 67' ' ' LEU . 23.2 t80 -53.33 -38.74 63.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -66.73 -17.57 64.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.692 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . . . -94.62 -30.82 14.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.831 HD11 ' CD2' ' A' ' 59' ' ' PHE . 70.6 mt -57.63 160.98 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 54.1 mm-40 -73.14 158.48 35.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.4 169.34 14.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.426 HD11 ' HG2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -118.47 160.45 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 p -101.51 179.41 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -63.77 -58.9 5.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -46.54 -53.36 11.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' A' ' 90' ' ' LEU . 6.4 tt0 -62.01 -39.69 93.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -52.89 -41.9 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.01 -46.91 85.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -64.43 -27.46 69.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -77.67 -42.1 35.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.471 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -42.22 -51.76 4.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -39.38 -35.88 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 56' ' ' HIS . . . -44.11 134.25 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.1 OUTLIER -84.89 155.16 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . 36.13 40.28 0.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.458 1.099 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 81' ' ' ALA . 7.2 mt -38.73 117.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.718 ' OG1' HG23 ' A' ' 58' ' ' ILE . 23.7 p -87.47 156.51 19.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -55.35 -28.01 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' ARG . 2.5 ptp180 -110.94 40.42 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.524 ' OG ' HD23 ' A' ' 84' ' ' LEU . 11.2 t -104.45 164.97 11.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.048 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' A' ' 78' ' ' LEU . 39.1 ttm180 173.47 135.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 74' ' ' GLU . 3.4 tp -46.13 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 92' ' ' CYS . . . 117.85 -119.06 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.6 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.7 p 49.66 -179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.493 ' C ' ' O ' ' A' ' 92' ' ' CYS . 11.5 pt20 30.57 41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -123.58 -170.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.415 ' N ' HG23 ' A' ' 94' ' ' ILE . 2.2 p -145.54 141.0 27.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 7' ' ' ILE . 14.1 mt -63.74 171.3 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.697 ' HA ' HD12 ' A' ' 25' ' ' ILE . 34.6 p -156.9 178.81 9.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.489 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -72.42 -23.65 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.692 ' HB1' ' HD3' ' A' ' 66' ' ' LYS . . . -75.15 -3.97 36.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.396 1.06 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.608 ' HE1' HG23 ' A' ' 63' ' ' ILE . 27.5 mmt -110.92 15.21 21.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.627 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 24.2 p-10 -71.13 89.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.627 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 2.5 p-10 92.87 31.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.617 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -77.89 150.96 34.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 111.08 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.7 m -119.17 137.48 53.59 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.381 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 57' ' ' LEU . 5.5 m -132.47 158.06 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.654 ' O ' HD23 ' A' ' 57' ' ' LEU . 66.9 ttt180 -126.1 147.93 49.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.84 HG22 HD21 ' A' ' 57' ' ' LEU . 38.8 t -105.66 104.07 46.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.643 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.553 1.818 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 0.98 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 p -167.13 170.94 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.43 168.87 9.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.408 1.067 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -156.21 171.27 20.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.95 155.27 27.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 6' ' ' LYS . . . -177.97 114.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 100' ' ' MET . 5.2 pt -109.77 -176.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' ASN . 55.5 m -112.19 131.92 55.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.91 HG21 HD21 ' A' ' 96' ' ' LEU . 40.7 t -129.98 138.17 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.703 ' CE1' HG23 ' A' ' 20' ' ' THR . 97.5 m-70 -116.33 143.97 44.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.545 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.706 ' CE1' HG12 ' A' ' 9' ' ' VAL . 29.6 m-85 -132.28 122.5 25.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' VAL . 12.6 mt -89.73 100.15 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -45.53 169.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' HG2' HG12 ' A' ' 107' ' ' VAL . 49.5 mtp180 -71.51 -23.63 61.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -28.13 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.66 2.69 8.74 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.65 124.67 28.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 0.718 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 m -86.23 118.65 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 6.6 mp -99.56 148.87 23.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.703 HG23 ' CE1' ' A' ' 10' ' ' HIS . 31.6 m -120.47 131.27 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.467 HG21 HG12 ' A' ' 32' ' ' VAL . 5.2 t -158.31 136.9 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.372 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.61 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -80.34 149.09 30.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.614 ' CA ' HD13 ' A' ' 96' ' ' LEU . . . -126.41 139.77 11.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.597 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -93.25 89.5 6.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.784 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -24.06 97.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 128.48 -29.73 3.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.447 1.092 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.39 157.64 36.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -74.98 97.95 3.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -45.26 -26.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.839 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -64.72 -43.39 93.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.243 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' SER . 89.5 m-20 -71.47 -39.52 70.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.49 HG21 HD11 ' A' ' 96' ' ' LEU . 55.4 t -38.97 -35.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 38' ' ' LEU . 71.1 t -62.22 -73.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 43' ' ' PHE . 3.8 t -51.35 -42.18 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -50.96 -45.96 61.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.565 ' HB3' HD13 ' A' ' 38' ' ' LEU . 2.1 t-20 -93.35 24.04 4.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.54 33.62 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HB3' HG13 ' A' ' 33' ' ' VAL . 1.1 mp -43.48 151.73 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -104.76 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.568 HD12 HD23 ' A' ' 38' ' ' LEU . 15.6 mt -139.95 59.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' ILE . 0.4 OUTLIER -38.66 112.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . 136.83 -13.61 3.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 2.2 t80 -36.71 94.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 0.784 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.693 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . 35.77 -125.47 0.78 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 44' ' ' GLY . . . 163.59 -32.52 0.0 OUTLIER 'General case' 0 C--O 1.258 1.533 0 CA-C-O 124.616 2.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.7 p -91.95 11.09 26.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.34 -1.475 . . . . 0.0 113.449 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 69.91 5.24 5.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.679 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 83.44 92.21 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.563 1.164 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.69 HG22 ' O ' ' A' ' 49' ' ' THR . 1.3 m -168.86 23.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 77' ' ' MET . 28.9 mt 58.07 84.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.78 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.045 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 18.9 p -74.49 -46.87 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 54' ' ' THR . 32.2 t 63.41 63.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -157.61 -43.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.546 ' SG ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -62.81 130.91 46.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.632 ' C ' HD22 ' A' ' 57' ' ' LEU . 11.8 t-80 -170.96 140.37 1.56 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.649 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.762 HD11 HG22 ' A' ' 107' ' ' VAL . 3.2 mm? -136.44 142.13 43.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.8 mm -94.92 115.62 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CG ' HD11 ' A' ' 67' ' ' LEU . 51.4 m-85 -85.85 122.9 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' PHE . 34.5 mt-10 -34.09 149.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.218 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 6.9 pt20 -65.65 75.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER 172.14 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.798 HG21 ' SD ' ' A' ' 100' ' ' MET . 17.7 mm -83.49 -44.44 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' HA ' HD12 ' A' ' 67' ' ' LEU . 5.3 t80 -52.65 -31.97 39.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 6.4 pt-20 -78.08 -4.3 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' ILE . . . -104.57 -23.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.695 HD11 ' CG ' ' A' ' 59' ' ' PHE . 36.3 mt -62.48 157.05 21.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -70.16 159.35 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.95 127.98 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.785 HD11 ' OE2' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -78.97 160.79 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.0 p -102.02 179.52 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -60.1 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' HG2' ' CD1' ' A' ' 50' ' ' LEU . 12.7 tt0 -44.96 -51.3 9.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.342 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.785 ' OE2' HD11 ' A' ' 70' ' ' ILE . 54.6 tt0 -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' ASP . 63.3 t30 -52.01 -40.69 61.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.37 -51.5 69.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.524 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 8.1 tpp -62.3 -14.95 44.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.538 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -100.19 -25.77 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.511 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -69.68 -54.78 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' N ' ' CG ' ' A' ' 79' ' ' ASP . 1.4 mp -57.18 -20.26 25.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -40.36 156.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 121.85 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.01 3.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.516 HD23 ' OG ' ' A' ' 88' ' ' SER . 0.4 OUTLIER 41.33 82.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.729 ' OG1' HG23 ' A' ' 58' ' ' ILE . 40.4 p -67.5 178.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -78.79 -10.34 59.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.681 ' CG ' HG22 ' A' ' 58' ' ' ILE . 5.5 ptp180 -125.83 17.22 8.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.516 ' OG ' HD23 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -74.74 129.16 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' NH1' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -153.42 53.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HA ' ' CG ' ' A' ' 56' ' ' HIS . 3.3 tt 38.84 -108.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.483 ' O ' HD21 ' A' ' 29' ' ' LEU . . . 127.1 51.02 0.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 0.0 111.096 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.526 ' CB ' HD13 ' A' ' 30' ' ' LEU . 5.8 p -135.96 11.97 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.74 8.71 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 30.5 mm -122.76 143.86 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.487 ' O ' HG23 ' A' ' 97' ' ' THR . 10.5 p -106.46 141.82 37.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.328 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.91 HD21 HG21 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -41.34 158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 95' ' ' CYS . 33.5 p -144.2 176.57 9.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.671 ' N ' HD12 ' A' ' 25' ' ' ILE . . . -75.35 -27.19 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.12 -4.94 38.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.798 ' SD ' HG21 ' A' ' 63' ' ' ILE . 4.4 mmt -100.73 12.58 37.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.83 100.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.0 OUTLIER 74.18 41.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.427 ' CG ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -80.91 155.05 26.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 m -121.24 137.45 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.722 HG23 HD12 ' A' ' 57' ' ' LEU . 2.5 m -134.44 164.19 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 ttt-85 -124.24 150.12 45.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.762 HG22 HD11 ' A' ' 57' ' ' LEU . 47.2 t -106.22 103.89 47.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.826 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 1.045 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -122.43 159.74 26.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -139.98 179.16 6.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -155.23 125.51 6.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -164.56 110.67 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -178.16 135.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.865 HD12 ' O ' ' A' ' 100' ' ' MET . 4.0 pt -104.45 178.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 22' ' ' LYS . 26.8 m -112.45 132.74 54.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.699 HG12 ' CE1' ' A' ' 11' ' ' PHE . 41.6 t -127.29 136.25 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -110.58 138.89 46.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.546 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.699 ' CE1' HG12 ' A' ' 9' ' ' VAL . 41.1 m-85 -129.36 121.69 27.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 106' ' ' ARG . 7.4 mt -92.08 106.22 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.14 150.15 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -55.36 -22.76 20.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -35.39 80.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.15 -15.01 5.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.71 165.27 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -122.13 122.84 40.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 145.32 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -116.24 113.9 23.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -129.33 172.29 11.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 7' ' ' ILE . . . -130.51 133.3 46.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.583 ' HA3' ' CD1' ' A' ' 96' ' ' LEU . . . -98.39 -145.65 19.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.676 ' O ' ' C ' ' A' ' 25' ' ' ILE . . . -176.26 77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -13.0 92.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' LYS . . . 142.25 -21.73 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.049 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 24' ' ' LYS . 9.8 t70 -96.07 151.25 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.862 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.1 t -69.4 177.73 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 96' ' ' LEU . 10.7 mt -99.11 -39.48 8.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 92' ' ' CYS . 3.1 tp -59.77 -28.82 67.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.05 -42.2 26.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 28' ' ' SER . 96.8 t -51.88 -33.08 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG21 ' CE2' ' A' ' 43' ' ' PHE . 22.1 t -75.7 -51.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.1 t -57.78 -27.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -83.91 -15.29 48.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 11.9 t-20 -97.7 16.37 20.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 2.7 t30 77.97 12.23 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 36.4 76.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.96 31.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.064 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.596 HD13 HG21 ' A' ' 107' ' ' VAL . 31.0 mt -140.66 57.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.4 m-20 -39.49 114.22 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.2 -22.86 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.421 1.075 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CE2' HG21 ' A' ' 33' ' ' VAL . 2.5 t80 -52.0 107.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.717 . . . . 0.0 110.998 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 55' ' ' CYS . . . 60.6 118.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 52' ' ' CYS . . . -100.22 -28.83 12.8 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 124.683 2.183 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' SG ' HG22 ' A' ' 49' ' ' THR . 9.6 p -91.85 3.99 53.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.271 -1.518 . . . . 0.0 113.498 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 76.8 3.19 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.643 ' HA2' ' S2 ' ' A' ' 146' ' ' FES . . . 87.24 91.29 1.0 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.428 1.08 . . . . 0.0 110.94 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.446 HG22 ' SG ' ' A' ' 46' ' ' CYS . 13.5 t -169.69 25.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 74' ' ' GLU . 24.1 mt 53.73 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.87 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.073 ' SG ' 'FE1 ' ' A' ' 146' ' ' FES . 21.0 p -75.63 -47.57 25.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 108.373 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.0 p 69.35 6.18 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.8 p -111.27 30.58 6.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.607 1.192 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.623 ' SG ' 'FE2 ' ' A' ' 146' ' ' FES . 5.7 p -122.5 18.14 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 108' ' ' PRO . 0.2 OUTLIER -59.46 161.08 6.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.591 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' C ' HD13 ' A' ' 58' ' ' ILE . 92.9 mt -152.68 158.4 42.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.87 HD11 ' HG3' ' A' ' 108' ' ' PRO . 2.4 mm -112.66 107.63 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 89' ' ' ARG . 47.0 m-85 -93.38 129.88 39.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 63' ' ' ILE . 2.6 mt-10 -35.55 134.92 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.71 HE21 ' NH2' ' A' ' 87' ' ' ARG . 6.8 mt-30 -52.78 -20.1 2.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -88.71 -23.15 23.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.611 HG23 ' CE ' ' A' ' 100' ' ' MET . 16.1 mt -91.98 -53.69 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.811 ' HA ' HD12 ' A' ' 67' ' ' LEU . 66.9 t80 -49.78 -20.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -93.07 24.49 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.777 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . . . -155.36 29.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 64' ' ' PHE . 35.4 mt -114.03 155.27 26.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.11 159.73 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.88 -170.71 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 71' ' ' THR . 1.0 OUTLIER -144.92 -177.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.223 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.586 ' N ' HG23 ' A' ' 70' ' ' ILE . 1.5 p -110.05 -168.3 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 75' ' ' ASN . 12.3 p-10 -76.65 -40.81 47.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -49.87 -54.44 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' HD13 ' A' ' 50' ' ' LEU . 11.1 tt0 -64.75 -46.56 81.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 27.4 t30 -40.76 -39.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.06 -50.73 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.529 ' HE2' HD13 ' A' ' 90' ' ' LEU . 10.2 tmm? -51.51 -32.08 26.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.62 ' O ' HD11 ' A' ' 84' ' ' LEU . 5.4 mt -82.95 -25.66 32.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -43.78 98.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 34.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 78' ' ' LEU . . . -97.42 174.37 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 83' ' ' GLY . 0.2 OUTLIER -99.42 136.29 39.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' THR . . . 35.21 54.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' ' 78' ' ' LEU . 9.0 mt -37.6 98.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.511 HG21 HD12 ' A' ' 58' ' ' ILE . 62.7 p -67.53 173.19 4.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.399 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -87.3 11.62 13.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.71 ' NH2' HE21 ' A' ' 61' ' ' GLN . 3.0 ptp180 -149.63 24.73 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.0 t -71.4 138.31 49.03 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 109.949 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.53 ' HB2' ' CD1' ' A' ' 59' ' ' PHE . 2.2 mmm180 -151.08 178.5 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.762 HD21 ' SG ' ' A' ' 92' ' ' CYS . 1.0 OUTLIER -106.2 151.59 24.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' LEU . . . -150.69 46.81 0.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.762 ' SG ' HD21 ' A' ' 90' ' ' LEU . 12.0 p -111.39 -30.05 7.56 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.583 ' NE2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -120.19 -133.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.411 ' N ' ' CG ' ' A' ' 93' ' ' GLN . 8.8 pt 46.98 -162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 p -142.3 142.83 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.351 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 29' ' ' LEU . 15.0 mt -59.41 164.99 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.881 ' HA ' HD12 ' A' ' 25' ' ' ILE . 29.4 p -142.56 154.0 44.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.45 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . . . -53.52 -33.84 55.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.777 ' HB1' ' HD2' ' A' ' 66' ' ' LYS . . . -57.94 -20.23 36.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.865 ' O ' HD12 ' A' ' 7' ' ' ILE . 34.4 mmt -93.22 25.68 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.607 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 12.5 p-10 -70.66 90.68 0.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.607 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 1.6 p-10 91.09 24.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -64.44 155.95 31.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 38.8 m -126.37 143.96 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 3.0 m -141.31 155.17 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.543 ' HB2' HD12 ' A' ' 12' ' ' ILE . 37.4 ttt-85 -120.47 151.44 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 40' ' ' ILE . 92.2 t -112.32 95.94 33.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.87 ' HG3' HD11 ' A' ' 58' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.443 1.76 . . . . 0.0 110.999 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' FES . . . . . 1.073 'FE1 ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_